 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_300_STD_M11-def2SVPDr.in
 Output=23_tartaric_acid_300_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/23_tartaric_acid_300_STD/Gau-34664.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/23_tartaric_acid_300_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     34665.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=23_tartaric_acid_300_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 15:23:05 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_300_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.464416000000     -0.510638000000     -0.301760000000
  O                                                -1.226068000000     -1.649988000000     -0.632869000000
  O                                                -2.372478000000      0.237815000000     -0.908297000000
  C                                                -0.752797000000      0.166934000000      0.877420000000
  C                                                 0.752808000000     -0.166909000000      0.877405000000
  C                                                 1.464382000000      0.510618000000     -0.301784000000
  O                                                 1.226101000000      1.650002000000     -0.632837000000
  O                                                -1.004751000000      1.555168000000      0.901145000000
  O                                                 1.004808000000     -1.555150000000      0.901196000000
  O                                                 2.372410000000     -0.237840000000     -0.908359000000
  H                                                -1.183171000000     -0.268641000000      1.783396000000
  H                                                 1.183171000000      0.268677000000      1.783379000000
  H                                                 2.347339000000     -1.116286000000     -0.478105000000
  H                                                -2.347390000000      1.116250000000     -0.478019000000
  H                                                -0.303553000000      1.976048000000      0.360817000000
  H                                                 0.303578000000     -1.976155000000      0.361020000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Jul 23 15:23:06 2021, MaxMem= 10737418240 cpu:               2.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.464416   -0.510638   -0.301760
      2          8           0       -1.226068   -1.649988   -0.632869
      3          8           0       -2.372478    0.237815   -0.908297
      4          6           0       -0.752797    0.166934    0.877420
      5          6           0        0.752808   -0.166909    0.877405
      6          6           0        1.464382    0.510618   -0.301784
      7          8           0        1.226101    1.650002   -0.632837
      8          8           0       -1.004751    1.555168    0.901145
      9          8           0        1.004808   -1.555150    0.901196
     10          8           0        2.372410   -0.237840   -0.908359
     11          1           0       -1.183171   -0.268641    1.783396
     12          1           0        1.183171    0.268677    1.783379
     13          1           0        2.347339   -1.116286   -0.478105
     14          1           0       -2.347390    1.116250   -0.478019
     15          1           0       -0.303553    1.976048    0.360817
     16          1           0        0.303578   -1.976155    0.361020
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.210191   0.000000
     3  O    1.323875   2.225740   0.000000
     4  C    1.534917   2.409598   2.411882   0.000000
     5  C    2.534692   2.897654   3.622147   1.542173   0.000000
     6  C    3.101745   3.466462   3.894069   2.534664   1.534883
     7  O    3.466534   4.111334   3.875554   2.897655   2.409565
     8  O    2.434302   3.560225   2.623009   1.411112   2.460717
     9  O    2.938567   2.709088   4.230254   2.460755   1.411128
    10  O    3.894049   3.875448   4.768670   3.622122   2.411865
    11  H    2.117909   2.783576   2.985994   1.093499   2.139903
    12  H    3.459025   3.914583   4.459676   2.139880   1.093497
    13  H    3.863597   3.616356   4.929029   3.618694   2.298098
    14  H    1.859429   2.988882   0.978477   2.298074   3.618687
    15  H    2.823158   3.871251   2.985390   1.934320   2.444387
    16  H    2.390151   1.853110   3.697851   2.444469   1.934382
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.210194   0.000000
     8  O    2.938493   2.709021   0.000000
     9  O    2.434290   3.560229   3.703027   0.000000
    10  O    1.323872   2.225732   4.230177   2.623000   0.000000
    11  H    3.459011   3.914584   2.033834   2.687124   4.459669
    12  H    2.117905   2.783523   2.687080   2.033815   2.986018
    13  H    1.859440   2.988890   4.502833   1.974199   0.978476
    14  H    3.863606   3.616448   1.974189   4.502871   4.929023
    15  H    2.390004   1.852969   0.980190   3.804363   3.697687
    16  H    2.823263   3.871410   3.804432   0.980183   2.985486
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.426579   0.000000
    13  H    4.277545   2.896156   0.000000
    14  H    2.896088   4.277518   5.198528   0.000000
    15  H    2.799301   2.673789   4.158551   2.370689   0.000000
    16  H    2.673795   2.799296   2.370752   4.158676   3.998564
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.464416   -0.510638   -0.301760
      2          8           0       -1.226068   -1.649988   -0.632869
      3          8           0       -2.372478    0.237815   -0.908297
      4          6           0       -0.752797    0.166934    0.877420
      5          6           0        0.752808   -0.166909    0.877405
      6          6           0        1.464382    0.510618   -0.301784
      7          8           0        1.226101    1.650002   -0.632837
      8          8           0       -1.004751    1.555168    0.901145
      9          8           0        1.004808   -1.555150    0.901196
     10          8           0        2.372410   -0.237840   -0.908359
     11          1           0       -1.183171   -0.268641    1.783396
     12          1           0        1.183171    0.268677    1.783379
     13          1           0        2.347339   -1.116286   -0.478105
     14          1           0       -2.347390    1.116250   -0.478019
     15          1           0       -0.303553    1.976048    0.360817
     16          1           0        0.303578   -1.976155    0.361020
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.8283046           1.1678491           0.9656679
 Leave Link  202 at Fri Jul 23 15:23:06 2021, MaxMem= 10737418240 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   266 symmetry adapted basis functions of A   symmetry.
   266 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       591.3890664853 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 15:23:07 2021, MaxMem= 10737418240 cpu:              13.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   266 RedAO= T EigKep=  2.89D-05  NBF=   266
 NBsUse=   266 1.00D-06 EigRej= -1.00D+00 NBFU=   266
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   285   285   285   285   285 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Fri Jul 23 15:23:08 2021, MaxMem= 10737418240 cpu:               7.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 15:23:09 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_300_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 15:23:09 2021, MaxMem= 10737418240 cpu:               5.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737247312 LenY= 10737165075
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -606.727378092668    
 DIIS: error= 5.37D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -606.727378092668     IErMin= 1 ErrMin= 5.37D-03
 ErrMax= 5.37D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-02 BMatP= 3.14D-02
 IDIUse=3 WtCom= 9.46D-01 WtEn= 5.37D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.452 Goal=   None    Shift=    0.000
 GapD=    0.452 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.57D-03 MaxDP=1.06D-01              OVMax= 2.06D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.57D-03    CP:  1.00D+00
 E= -606.756330318135     Delta-E=       -0.028952225467 Rises=F Damp=F
 DIIS: error= 1.78D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -606.756330318135     IErMin= 2 ErrMin= 1.78D-03
 ErrMax= 1.78D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-03 BMatP= 3.14D-02
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.78D-02
 Coeff-Com:  0.474D-01 0.953D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.466D-01 0.953D+00
 Gap=     0.436 Goal=   None    Shift=    0.000
 RMSDP=1.18D-03 MaxDP=2.50D-02 DE=-2.90D-02 OVMax= 1.03D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.67D-04    CP:  9.89D-01  1.14D+00
 E= -606.757723902064     Delta-E=       -0.001393583928 Rises=F Damp=F
 DIIS: error= 1.36D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -606.757723902064     IErMin= 3 ErrMin= 1.36D-03
 ErrMax= 1.36D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-03 BMatP= 2.27D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.36D-02
 Coeff-Com: -0.634D-01 0.460D+00 0.604D+00
 Coeff-En:   0.000D+00 0.134D+00 0.866D+00
 Coeff:     -0.625D-01 0.455D+00 0.607D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=2.38D-04 MaxDP=1.08D-02 DE=-1.39D-03 OVMax= 3.99D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.74D-04    CP:  9.91D-01  1.17D+00  9.42D-01
 E= -606.758773920424     Delta-E=       -0.001050018361 Rises=F Damp=F
 DIIS: error= 2.48D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -606.758773920424     IErMin= 4 ErrMin= 2.48D-04
 ErrMax= 2.48D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.69D-05 BMatP= 1.63D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.48D-03
 Coeff-Com: -0.220D-01 0.774D-01 0.178D+00 0.766D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.219D-01 0.772D-01 0.178D+00 0.767D+00
 Gap=     0.429 Goal=   None    Shift=    0.000
 RMSDP=9.24D-05 MaxDP=2.65D-03 DE=-1.05D-03 OVMax= 1.33D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.49D-05    CP:  9.89D-01  1.17D+00  9.83D-01  1.06D+00
 E= -606.758819768027     Delta-E=       -0.000045847603 Rises=F Damp=F
 DIIS: error= 9.85D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -606.758819768027     IErMin= 5 ErrMin= 9.85D-05
 ErrMax= 9.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.66D-06 BMatP= 4.69D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.254D-02-0.387D-01-0.403D-01 0.231D+00 0.846D+00
 Coeff:      0.254D-02-0.387D-01-0.403D-01 0.231D+00 0.846D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=3.31D-05 MaxDP=6.63D-04 DE=-4.58D-05 OVMax= 6.85D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.28D-05    CP:  9.89D-01  1.17D+00  1.00D+00  1.11D+00  9.80D-01
 E= -606.758826493409     Delta-E=       -0.000006725382 Rises=F Damp=F
 DIIS: error= 3.74D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -606.758826493409     IErMin= 6 ErrMin= 3.74D-05
 ErrMax= 3.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-06 BMatP= 6.66D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.301D-02-0.256D-01-0.347D-01 0.591D-01 0.421D+00 0.577D+00
 Coeff:      0.301D-02-0.256D-01-0.347D-01 0.591D-01 0.421D+00 0.577D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=6.92D-06 MaxDP=2.14D-04 DE=-6.73D-06 OVMax= 2.00D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.18D-06    CP:  9.89D-01  1.17D+00  1.01D+00  1.12D+00  9.84D-01
                    CP:  1.02D+00
 E= -606.758827509421     Delta-E=       -0.000001016012 Rises=F Damp=F
 DIIS: error= 7.62D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -606.758827509421     IErMin= 7 ErrMin= 7.62D-06
 ErrMax= 7.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.46D-08 BMatP= 1.33D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.410D-03-0.116D-02-0.311D-02-0.199D-01-0.163D-01 0.153D+00
 Coeff-Com:  0.887D+00
 Coeff:      0.410D-03-0.116D-02-0.311D-02-0.199D-01-0.163D-01 0.153D+00
 Coeff:      0.887D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=4.21D-06 MaxDP=1.21D-04 DE=-1.02D-06 OVMax= 8.06D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.81D-06    CP:  9.89D-01  1.17D+00  1.01D+00  1.12D+00  9.96D-01
                    CP:  1.13D+00  1.05D+00
 E= -606.758827597578     Delta-E=       -0.000000088157 Rises=F Damp=F
 DIIS: error= 2.25D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -606.758827597578     IErMin= 8 ErrMin= 2.25D-06
 ErrMax= 2.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.77D-09 BMatP= 6.46D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.137D-03 0.158D-02 0.210D-02-0.819D-02-0.300D-01-0.266D-01
 Coeff-Com:  0.132D+00 0.930D+00
 Coeff:     -0.137D-03 0.158D-02 0.210D-02-0.819D-02-0.300D-01-0.266D-01
 Coeff:      0.132D+00 0.930D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=1.28D-06 MaxDP=4.63D-05 DE=-8.82D-08 OVMax= 2.29D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.21D-07    CP:  9.89D-01  1.17D+00  1.01D+00  1.12D+00  9.94D-01
                    CP:  1.17D+00  1.09D+00  1.14D+00
 E= -606.758827603412     Delta-E=       -0.000000005834 Rises=F Damp=F
 DIIS: error= 8.14D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -606.758827603412     IErMin= 9 ErrMin= 8.14D-07
 ErrMax= 8.14D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.63D-10 BMatP= 3.77D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.750D-04 0.604D-03 0.948D-03-0.153D-02-0.801D-02-0.217D-01
 Coeff-Com: -0.196D-01 0.300D+00 0.749D+00
 Coeff:     -0.750D-04 0.604D-03 0.948D-03-0.153D-02-0.801D-02-0.217D-01
 Coeff:     -0.196D-01 0.300D+00 0.749D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=3.60D-07 MaxDP=1.12D-05 DE=-5.83D-09 OVMax= 6.13D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.96D-07    CP:  9.89D-01  1.17D+00  1.01D+00  1.12D+00  9.94D-01
                    CP:  1.17D+00  1.09D+00  1.22D+00  1.11D+00
 E= -606.758827604031     Delta-E=       -0.000000000618 Rises=F Damp=F
 DIIS: error= 3.10D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -606.758827604031     IErMin=10 ErrMin= 3.10D-07
 ErrMax= 3.10D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.05D-11 BMatP= 5.63D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.123D-04 0.401D-04 0.109D-03 0.355D-03 0.855D-03-0.565D-02
 Coeff-Com: -0.227D-01-0.700D-02 0.284D+00 0.750D+00
 Coeff:     -0.123D-04 0.401D-04 0.109D-03 0.355D-03 0.855D-03-0.565D-02
 Coeff:     -0.227D-01-0.700D-02 0.284D+00 0.750D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=1.60D-07 MaxDP=4.72D-06 DE=-6.18D-10 OVMax= 2.85D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.35D-08    CP:  9.89D-01  1.17D+00  1.01D+00  1.12D+00  9.95D-01
                    CP:  1.17D+00  1.09D+00  1.25D+00  1.21D+00  1.10D+00
 E= -606.758827604119     Delta-E=       -0.000000000088 Rises=F Damp=F
 DIIS: error= 8.26D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -606.758827604119     IErMin=11 ErrMin= 8.26D-08
 ErrMax= 8.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.44D-12 BMatP= 9.05D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.613D-05-0.630D-04-0.906D-04 0.274D-03 0.126D-02 0.110D-02
 Coeff-Com: -0.192D-02-0.399D-01-0.320D-01 0.157D+00 0.915D+00
 Coeff:      0.613D-05-0.630D-04-0.906D-04 0.274D-03 0.126D-02 0.110D-02
 Coeff:     -0.192D-02-0.399D-01-0.320D-01 0.157D+00 0.915D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=6.57D-08 MaxDP=2.05D-06 DE=-8.78D-11 OVMax= 1.47D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.49D-08    CP:  9.89D-01  1.17D+00  1.01D+00  1.12D+00  9.95D-01
                    CP:  1.17D+00  1.09D+00  1.26D+00  1.26D+00  1.22D+00
                    CP:  1.22D+00
 E= -606.758827604136     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 3.56D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -606.758827604136     IErMin=12 ErrMin= 3.56D-08
 ErrMax= 3.56D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.93D-13 BMatP= 6.44D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.235D-05-0.161D-04-0.279D-04 0.178D-04 0.164D-03 0.620D-03
 Coeff-Com:  0.189D-02-0.685D-02-0.315D-01-0.402D-01 0.188D+00 0.888D+00
 Coeff:      0.235D-05-0.161D-04-0.279D-04 0.178D-04 0.164D-03 0.620D-03
 Coeff:      0.189D-02-0.685D-02-0.315D-01-0.402D-01 0.188D+00 0.888D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=1.69D-08 MaxDP=5.69D-07 DE=-1.73D-11 OVMax= 6.36D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.96D-09    CP:  9.89D-01  1.17D+00  1.01D+00  1.12D+00  9.95D-01
                    CP:  1.18D+00  1.09D+00  1.26D+00  1.26D+00  1.24D+00
                    CP:  1.31D+00  1.10D+00
 E= -606.758827604130     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 1.38D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -606.758827604136     IErMin=13 ErrMin= 1.38D-08
 ErrMax= 1.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.25D-14 BMatP= 6.93D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.835D-06 0.870D-05 0.125D-04-0.386D-04-0.185D-03-0.153D-03
 Coeff-Com:  0.486D-03 0.568D-02 0.204D-02-0.304D-01-0.125D+00 0.796D-01
 Coeff-Com:  0.107D+01
 Coeff:     -0.835D-06 0.870D-05 0.125D-04-0.386D-04-0.185D-03-0.153D-03
 Coeff:      0.486D-03 0.568D-02 0.204D-02-0.304D-01-0.125D+00 0.796D-01
 Coeff:      0.107D+01
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=8.63D-09 MaxDP=3.39D-07 DE= 5.91D-12 OVMax= 3.76D-07

 SCF Done:  E(RM11) =  -606.758827604     A.U. after   13 cycles
            NFock= 13  Conv=0.86D-08     -V/T= 2.0101
 KE= 6.007087666537D+02 PE=-2.604722188705D+03 EE= 8.058655279621D+02
 Leave Link  502 at Fri Jul 23 15:24:25 2021, MaxMem= 10737418240 cpu:            1199.1 elap:              75.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   266
 NBasis=   266 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    266 NOA=    39 NOB=    39 NVA=   227 NVB=   227

 **** Warning!!: The largest alpha MO coefficient is  0.33374940D+02

 Leave Link  801 at Fri Jul 23 15:24:25 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4853 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.48D-13 8.33D-09 XBig12= 1.00D+00 2.64D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.48D-13 8.33D-09 XBig12= 1.86D-01 8.09D-02.
     11 vectors produced by pass  2 Test12= 1.48D-13 8.33D-09 XBig12= 3.14D-02 4.51D-02.
     11 vectors produced by pass  3 Test12= 1.48D-13 8.33D-09 XBig12= 3.12D-03 1.51D-02.
     11 vectors produced by pass  4 Test12= 1.48D-13 8.33D-09 XBig12= 4.00D-04 3.54D-03.
     11 vectors produced by pass  5 Test12= 1.48D-13 8.33D-09 XBig12= 2.38D-05 1.01D-03.
     11 vectors produced by pass  6 Test12= 1.48D-13 8.33D-09 XBig12= 7.33D-07 1.21D-04.
     11 vectors produced by pass  7 Test12= 1.48D-13 8.33D-09 XBig12= 1.86D-08 2.37D-05.
     11 vectors produced by pass  8 Test12= 1.48D-13 8.33D-09 XBig12= 6.03D-10 3.52D-06.
     11 vectors produced by pass  9 Test12= 1.48D-13 8.33D-09 XBig12= 2.21D-11 6.88D-07.
      9 vectors produced by pass 10 Test12= 1.48D-13 8.33D-09 XBig12= 6.26D-13 1.07D-07.
      1 vectors produced by pass 11 Test12= 1.48D-13 8.33D-09 XBig12= 1.21D-14 1.43D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.722847D+02
      2 -0.576883D+01  0.766781D+02
      3 -0.230082D-03  0.245657D-03  0.617730D+02
 Isotropic polarizability for W=    0.088559       70.25 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.407195D-02  0.170321D-02 -0.383133D+02
      2   0.235215D-02 -0.406384D-03 -0.238310D+01
      3   0.171981D-02 -0.129683D-02  0.406964D+02
      4   0.241608D-03  0.132534D-02 -0.123698D+02
      5  -0.172423D+02 -0.286533D+01  0.403271D-03
      6  -0.398516D+00  0.902400D+00 -0.160056D-02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.785562D+01  0.501839D+01  0.431962D-04
      2  -0.247382D+02 -0.927575D+01 -0.706305D-03
      3   0.361771D-03  0.428953D-04  0.162643D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.950450D+01  0.328550D+01  0.303727D-03
      2  -0.210710D+02 -0.119713D+02 -0.131654D-02
      3  -0.146161D-02  0.102681D-02  0.246682D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.144854D+01  0.270675D+01 -0.245977D-03
      2   0.270675D+01  0.174819D+01  0.129636D-03
      3  -0.245977D-03  0.129636D-03 -0.933582D-01
 OR G Eigenvalues:    -2.9936    -0.0934     3.2933  Iso=    -0.0688
 Eigenvectors:
   (1)   0.868469  -0.495744   0.000096
   (2)  -0.000082   0.000050   1.000000
   (3)   0.495744   0.868469  -0.000003
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0688 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -23.23 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   35511 ScalPx= 2.11D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.52D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.46D-14 2.78D-09 XBig12= 1.00D+00 3.58D-01.
     30 vectors produced by pass  1 Test12= 2.46D-14 2.78D-09 XBig12= 8.15D-02 5.03D-02.
     30 vectors produced by pass  2 Test12= 2.46D-14 2.78D-09 XBig12= 1.89D-03 8.06D-03.
     30 vectors produced by pass  3 Test12= 2.46D-14 2.78D-09 XBig12= 3.77D-05 9.40D-04.
     30 vectors produced by pass  4 Test12= 2.46D-14 2.78D-09 XBig12= 8.07D-07 1.42D-04.
     30 vectors produced by pass  5 Test12= 2.46D-14 2.78D-09 XBig12= 1.06D-08 1.22D-05.
     30 vectors produced by pass  6 Test12= 2.46D-14 2.78D-09 XBig12= 1.19D-10 1.11D-06.
     30 vectors produced by pass  7 Test12= 2.46D-14 2.78D-09 XBig12= 1.03D-12 1.19D-07.
     22 vectors produced by pass  8 Test12= 2.46D-14 2.78D-09 XBig12= 7.27D-15 8.88D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.78D-15
 Solved reduced A of dimension   262 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 5.90D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 5.90D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.89D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.722847D+02 -0.576883D+01 -0.230082D-03
      2  -0.576883D+01  0.766781D+02  0.245657D-03
      3  -0.230082D-03  0.245657D-03  0.617730D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.785562D+01  0.501839D+01  0.431962D-04
      2  -0.247382D+02 -0.927575D+01 -0.706305D-03
      3   0.361771D-03  0.428953D-04  0.162643D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.407195D-02  0.170321D-02 -0.383133D+02
      2   0.235215D-02 -0.406384D-03 -0.238310D+01
      3   0.171981D-02 -0.129683D-02  0.406964D+02
      4   0.241608D-03  0.132534D-02 -0.123698D+02
      5  -0.172423D+02 -0.286533D+01  0.403271D-03
      6  -0.398516D+00  0.902400D+00 -0.160056D-02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.188725D+00 -0.107785D+01  0.104694D+00  0.117013D+01 -0.135068D+01
      2  -0.107785D+01 -0.746591D+00 -0.722976D+00 -0.135068D+01  0.500814D+01
      3   0.104694D+00 -0.722976D+00 -0.885263D+00 -0.497846D-01  0.733953D+00
                 6             7             8             9            10 
      1  -0.497846D-01  0.120502D+01 -0.151543D+01 -0.431227D+00  0.158410D+01
      2   0.733953D+00 -0.151543D+01  0.140450D+01 -0.665644D+00 -0.254181D+01
      3   0.340089D+00 -0.431227D+00 -0.665644D+00 -0.235446D+00 -0.521273D+00
                11            12            13            14            15 
      1  -0.254181D+01 -0.521273D+00 -0.421870D+01  0.550975D+00 -0.955793D+00
      2  -0.147196D+00 -0.733581D-01  0.550975D+00 -0.112181D+02 -0.176342D+01
      3  -0.733581D-01  0.678204D+00 -0.955793D+00 -0.176342D+01 -0.289213D+01
                16            17            18            19            20 
      1  -0.108033D+01  0.258588D+00  0.322450D-01 -0.544638D+01  0.145768D+01
      2   0.258588D+00 -0.267243D+01 -0.289154D+01  0.145768D+01 -0.955639D+00
      3   0.322450D-01 -0.289154D+01 -0.243840D+01 -0.177854D+01  0.270807D+00
                21            22            23            24            25 
      1  -0.177854D+01 -0.559395D+00 -0.100604D+01 -0.402985D+00 -0.287948D+01
      2   0.270807D+00 -0.100604D+01 -0.124286D+01 -0.189398D+01  0.641084D+00
      3  -0.117720D+01 -0.402985D+00 -0.189398D+01 -0.501732D+00 -0.280806D+01
                26            27            28            29            30 
      1   0.641084D+00 -0.280806D+01 -0.463739D+01  0.161928D+01 -0.697519D-01
      2  -0.226222D+01  0.870485D+00  0.161928D+01  0.115847D+01  0.727748D-01
      3   0.870485D+00 -0.337893D+01 -0.697519D-01  0.727748D-01  0.261925D+01
                31            32            33            34            35 
      1   0.287303D+01  0.187446D+01 -0.516600D+00 -0.398109D+00  0.230249D+00
      2   0.187446D+01 -0.229747D+01 -0.510911D+00  0.230249D+00 -0.354434D+00
      3  -0.516600D+00 -0.510911D+00  0.370970D+01  0.245879D+01  0.211166D+01
                36            37            38            39            40 
      1   0.245879D+01  0.463797D+01 -0.161888D+01 -0.705260D-01 -0.287233D+01
      2   0.211166D+01 -0.161888D+01 -0.115848D+01  0.725467D-01 -0.187432D+01
      3  -0.243335D+01 -0.705260D-01  0.725467D-01 -0.261887D+01 -0.516673D+00
                41            42            43            44            45 
      1  -0.187432D+01 -0.516673D+00 -0.398734D+00  0.229852D+00 -0.245811D+01
      2   0.229802D+01 -0.511412D+00  0.229852D+00 -0.354960D+00 -0.211121D+01
      3  -0.511412D+00 -0.370928D+01 -0.245811D+01 -0.211121D+01 -0.243384D+01
                46            47            48            49            50 
      1   0.187889D+00  0.107763D+01  0.105037D+00 -0.117090D+01  0.135015D+01
      2   0.107763D+01  0.745893D+00 -0.722666D+00  0.135015D+01 -0.500879D+01
      3   0.105037D+00 -0.722666D+00  0.884668D+00 -0.493667D-01  0.734156D+00
                51            52            53            54            55 
      1  -0.493667D-01  0.120528D+01 -0.151499D+01  0.430641D+00 -0.158378D+01
      2   0.734156D+00 -0.151499D+01  0.140433D+01  0.665396D+00  0.254187D+01
      3  -0.340356D+00  0.430641D+00  0.665396D+00 -0.235256D+00 -0.521157D+00
                56            57            58            59            60 
      1   0.254187D+01 -0.521157D+00  0.421910D+01 -0.550559D+00 -0.956009D+00
      2   0.147703D+00 -0.734520D-01 -0.550559D+00  0.112185D+02 -0.176336D+01
      3  -0.734520D-01 -0.677988D+00 -0.956009D+00 -0.176336D+01  0.289227D+01
                61            62            63            64            65 
      1  -0.108015D+01  0.258527D+00 -0.320376D-01 -0.410754D+01  0.156221D+01
      2   0.258527D+00 -0.267208D+01  0.289142D+01  0.156221D+01 -0.204616D+01
      3  -0.320376D-01  0.289142D+01 -0.243811D+01  0.166956D+01 -0.151141D+00
                66            67            68            69            70 
      1   0.166956D+01 -0.579633D+00 -0.221277D+01  0.890143D+00  0.268062D+01
      2  -0.151141D+00 -0.221277D+01  0.597876D+01  0.173834D+01 -0.263974D-01
      3  -0.184219D+01  0.890143D+00  0.173834D+01 -0.147305D+00 -0.194371D+01
                71            72            73            74            75 
      1  -0.263974D-01 -0.194371D+01  0.410748D+01 -0.156202D+01  0.166944D+01
      2   0.202558D+01  0.154292D+01 -0.156202D+01  0.204692D+01 -0.151245D+00
      3   0.154292D+01  0.240306D+01  0.166944D+01 -0.151245D+00  0.184206D+01
                76            77            78            79            80 
      1   0.579719D+00  0.221314D+01  0.890028D+00  0.267977D+01 -0.263090D-01
      2   0.221314D+01 -0.597820D+01  0.173854D+01 -0.263090D-01  0.202573D+01
      3   0.890028D+00  0.173854D+01  0.147239D+00  0.194320D+01 -0.154299D+01
                81            82            83            84            85 
      1   0.194320D+01  0.544601D+01 -0.145771D+01 -0.177859D+01  0.559229D+00
      2  -0.154299D+01 -0.145771D+01  0.955704D+00  0.270739D+00  0.100589D+01
      3   0.240261D+01 -0.177859D+01  0.270739D+00  0.117730D+01 -0.402944D+00
                86            87            88            89            90 
      1   0.100589D+01 -0.402944D+00 -0.287936D+01  0.641047D+00  0.280800D+01
      2   0.124298D+01 -0.189396D+01  0.641047D+00 -0.226221D+01 -0.870542D+00
      3  -0.189396D+01  0.501696D+00  0.280800D+01 -0.870542D+00 -0.337920D+01
                91            92            93            94            95 
      1  -0.141973D+01 -0.852833D+00  0.192884D+01 -0.139267D+01 -0.105366D+01
      2  -0.852833D+00 -0.853323D+00  0.273999D+00 -0.105366D+01 -0.110209D+01
      3   0.192884D+01  0.273999D+00 -0.242337D+01  0.563837D+00  0.156009D+01
                96            97            98            99           100 
      1   0.563837D+00  0.223441D+01  0.442684D+00 -0.232900D+01  0.141952D+01
      2   0.156009D+01  0.442684D+00  0.158434D+01 -0.141616D+01  0.852817D+00
      3  -0.231979D+01 -0.232900D+01 -0.141616D+01  0.655389D+01  0.192885D+01
               101           102           103           104           105 
      1   0.852817D+00  0.192885D+01  0.139260D+01  0.105365D+01  0.563821D+00
      2   0.853316D+00  0.274006D+00  0.105365D+01  0.110210D+01  0.156008D+01
      3   0.274006D+00  0.242325D+01  0.563821D+00  0.156008D+01  0.231973D+01
               106           107           108           109           110 
      1   0.223444D+01  0.442730D+00  0.232883D+01  0.818121D+00 -0.793877D+00
      2   0.442730D+00  0.158445D+01  0.141614D+01 -0.793877D+00  0.624047D+00
      3   0.232883D+01  0.141614D+01  0.655382D+01  0.391704D+00  0.179132D+00
               111           112           113           114           115 
      1   0.391704D+00 -0.251712D+01  0.119597D+01  0.926093D+00  0.114466D+01
      2   0.179132D+00  0.119597D+01 -0.417357D+01  0.380199D+00 -0.523853D-02
      3  -0.162088D-02  0.926093D+00  0.380199D+00 -0.168579D+01 -0.387488D+00
               116           117           118           119           120 
      1  -0.523853D-02 -0.387488D+00 -0.817959D+00  0.793886D+00  0.391806D+00
      2   0.105461D+01 -0.839153D+00  0.793886D+00 -0.624053D+00  0.179110D+00
      3  -0.839153D+00  0.515701D+00  0.391806D+00  0.179110D+00  0.161412D-02
               121           122           123           124           125 
      1   0.251731D+01 -0.119589D+01  0.926091D+00  0.114486D+01 -0.524112D-02
      2  -0.119589D+01  0.417335D+01  0.380319D+00 -0.524112D-02  0.105468D+01
      3   0.926091D+00  0.380319D+00  0.168572D+01  0.387469D+00  0.839163D+00
               126           127           128           129           130 
      1   0.387469D+00  0.353012D+01  0.361726D+00 -0.172525D+01  0.157843D+01
      2   0.839163D+00  0.361726D+00  0.104977D+01  0.150862D+00  0.370586D+00
      3   0.515722D+00 -0.172525D+01  0.150862D+00  0.140496D+01 -0.454935D+00
               131           132           133           134           135 
      1   0.370586D+00 -0.454935D+00 -0.290698D+01 -0.255385D-01  0.115268D+01
      2   0.239133D+01 -0.244326D+00 -0.255385D-01 -0.779990D+00  0.424176D+00
      3  -0.244326D+00  0.104473D+01  0.115268D+01  0.424176D+00 -0.986451D+00
               136           137           138           139           140 
      1  -0.352969D+01 -0.362121D+00 -0.172484D+01 -0.157879D+01 -0.370894D+00
      2  -0.362121D+00 -0.105039D+01  0.150861D+00 -0.370894D+00 -0.239205D+01
      3  -0.172484D+01  0.150861D+00 -0.140479D+01 -0.454923D+00 -0.244293D+00
               141           142           143           144 
      1  -0.454923D+00 -0.290594D+01 -0.256128D-01 -0.115222D+01
      2  -0.244293D+00 -0.256128D-01 -0.779912D+00 -0.424123D+00
      3  -0.104480D+01 -0.115222D+01 -0.424123D+00 -0.985832D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.217345D+01 -0.287362D+01 -0.248211D+01 -0.407522D+01 -0.505418D+01
      2   0.983974D+01  0.561445D+01  0.617106D+01  0.630609D+01 -0.189971D+00
      3   0.321236D+01 -0.490973D+01 -0.264290D+01 -0.568403D+01  0.412162D+01
                 6             7             8             9            10 
      1   0.259189D+01  0.297415D+00  0.411649D+01  0.372635D+01  0.237610D+01
      2   0.212131D+01 -0.424089D+01  0.245903D+00 -0.938688D+01 -0.563941D+00
      3   0.268601D+01 -0.713835D+01  0.486585D+01 -0.214384D+01 -0.664538D+01
                11            12            13            14            15 
      1   0.416639D-01  0.737544D+00 -0.183346D+01  0.483476D+01 -0.968808D+01
      2  -0.215588D+01  0.529986D+00 -0.172270D+01  0.330178D+01  0.296030D+01
      3  -0.789098D+00  0.185322D+00  0.138212D+02 -0.170937D+02 -0.840220D+00
                16            17            18            19            20 
      1  -0.132590D+01  0.197054D+01 -0.415574D+01 -0.175268D+00  0.235099D+01
      2  -0.403863D+01  0.508742D+01  0.578762D+01 -0.148924D+01 -0.974035D+00
      3   0.421195D+01 -0.374070D+01 -0.431031D+01  0.117151D+01 -0.692513D+01
                21            22            23            24            25 
      1   0.209521D+01  0.202137D+01  0.385964D+01  0.650918D+00 -0.508452D+00
      2   0.476099D+01 -0.103372D+01  0.390869D+01  0.576697D+00  0.289972D+01
      3  -0.436997D-01 -0.114696D+01 -0.543207D+01 -0.622263D+01 -0.472476D+00
                26            27            28            29            30 
      1   0.618729D+01  0.120814D+01  0.221976D+01  0.156270D+01 -0.323756D+00
      2   0.976569D+00  0.106630D+02  0.943428D+01 -0.691430D+00  0.116842D+01
      3  -0.869171D+01  0.104512D+01  0.134985D+01 -0.181163D+01 -0.278338D+00
                31            32            33            34            35 
      1   0.286749D+01 -0.315696D+01 -0.156606D+01  0.549329D+00  0.344376D+01
      2  -0.589314D+01 -0.169562D+01  0.479505D+00 -0.619133D+01 -0.632768D+00
      3   0.395748D+01 -0.154071D+01 -0.129584D+01  0.266170D+00 -0.850919D+00
                36            37            38            39            40 
      1   0.224681D+01 -0.221911D+01 -0.156266D+01 -0.323927D+00 -0.286705D+01
      2   0.182957D+01 -0.943605D+01  0.690352D+00  0.117026D+01  0.589148D+01
      3   0.120979D+01  0.134916D+01 -0.181142D+01  0.278555D+00  0.395757D+01
                41            42            43            44            45 
      1   0.315830D+01 -0.156657D+01  0.548558D+00  0.344303D+01 -0.224602D+01
      2   0.169451D+01  0.480316D+00 -0.618938D+01 -0.631241D+00 -0.183188D+01
      3  -0.154181D+01  0.129631D+01 -0.265547D+00  0.851389D+00  0.120888D+01
                46            47            48            49            50 
      1   0.217243D+01  0.287325D+01 -0.248058D+01  0.407448D+01  0.505291D+01
      2  -0.983843D+01 -0.561274D+01  0.616997D+01 -0.630340D+01  0.191315D+00
      3   0.321213D+01 -0.490896D+01  0.264224D+01 -0.568496D+01  0.412219D+01
                51            52            53            54            55 
      1   0.259254D+01  0.297149D+00  0.411673D+01 -0.372553D+01 -0.237598D+01
      2   0.211926D+01 -0.424121D+01  0.245147D+00  0.938768D+01  0.564447D+00
      3  -0.268601D+01  0.713663D+01 -0.486545D+01 -0.214300D+01 -0.664477D+01
                56            57            58            59            60 
      1  -0.418191D-01  0.736757D+00  0.183331D+01 -0.483465D+01 -0.968804D+01
      2   0.215565D+01  0.530201D+00  0.172164D+01 -0.330182D+01  0.296096D+01
      3  -0.789931D+00 -0.185106D+00  0.138213D+02 -0.170932D+02  0.839972D+00
                61            62            63            64            65 
      1  -0.132582D+01  0.197074D+01  0.415509D+01 -0.395961D+01 -0.272749D+01
      2  -0.403883D+01  0.508688D+01 -0.578666D+01  0.487899D+00 -0.214378D+01
      3  -0.421119D+01  0.374046D+01 -0.430993D+01 -0.115634D+02 -0.567852D+01
                66            67            68            69            70 
      1   0.487490D+01 -0.564590D+01  0.562587D+01 -0.187924D+01  0.489237D+01
      2   0.401250D+01 -0.282964D+00  0.819171D+00 -0.193346D+01 -0.229292D+01
      3   0.568575D+01  0.138422D+00  0.424064D+01  0.515549D+01  0.885109D+01
                71            72            73            74            75 
      1   0.475140D+01 -0.348286D+01  0.395922D+01  0.272848D+01  0.487437D+01
      2  -0.138068D+01 -0.157136D+01 -0.488773D+00  0.214363D+01  0.401202D+01
      3   0.285536D+01 -0.303724D+01 -0.115630D+02 -0.568001D+01 -0.568478D+01
                76            77            78            79            80 
      1   0.564650D+01 -0.562533D+01 -0.187860D+01  0.489084D+01  0.475184D+01
      2   0.283177D+00 -0.819386D+00 -0.193351D+01 -0.229343D+01 -0.138067D+01
      3   0.136686D+00  0.423977D+01 -0.515582D+01 -0.884883D+01 -0.285580D+01
                81            82            83            84            85 
      1   0.348140D+01  0.175478D+00 -0.235091D+01  0.209478D+01 -0.202088D+01
      2   0.157112D+01  0.148936D+01  0.973652D+00  0.476063D+01  0.103337D+01
      3  -0.303556D+01  0.117135D+01 -0.692502D+01  0.437934D-01 -0.114553D+01
                86            87            88            89            90 
      1  -0.385983D+01  0.651177D+00 -0.508151D+00  0.618757D+01 -0.120849D+01
      2  -0.390876D+01  0.577005D+00  0.289886D+01  0.976427D+00 -0.106628D+02
      3  -0.543177D+01  0.622221D+01  0.472564D+00  0.869132D+01  0.104522D+01
                91            92            93            94            95 
      1  -0.982155D+00 -0.128326D+01  0.116046D+00 -0.125649D+01 -0.149622D+01
      2   0.289241D+00  0.510134D+00 -0.834292D-01  0.166016D+01 -0.473613D-01
      3  -0.505081D+00 -0.169557D+01  0.222198D+00  0.146635D+00 -0.120847D+01
                96            97            98            99           100 
      1   0.125692D+01  0.230472D+00  0.334777D+01 -0.132166D+01  0.982110D+00
      2   0.673164D+00 -0.269255D+01  0.251437D+00 -0.220927D+01 -0.288829D+00
      3   0.165987D+01 -0.264383D+00  0.200539D+01 -0.675734D+00 -0.504896D+00
               101           102           103           104           105 
      1   0.128319D+01  0.115945D+00  0.125650D+01  0.149597D+01  0.125681D+01
      2  -0.510153D+00 -0.835217D-01 -0.166011D+01  0.473474D-01  0.673122D+00
      3  -0.169546D+01 -0.222152D+00  0.146784D+00 -0.120823D+01 -0.165982D+01
               106           107           108           109           110 
      1   0.230514D+00  0.334772D+01  0.132121D+01  0.141431D+01  0.107540D+01
      2  -0.269262D+01  0.251224D+00  0.220966D+01 -0.564072D-01 -0.436115D+00
      3   0.264493D+00 -0.200549D+01 -0.675520D+00  0.259931D+01 -0.514419D+00
               111           112           113           114           115 
      1  -0.680027D+00  0.668852D+00  0.666107D+01 -0.348885D+01 -0.103522D+01
      2  -0.116045D+00  0.532347D+00  0.240440D+01 -0.436943D+01 -0.100199D+01
      3  -0.144090D+01  0.829909D+00  0.130653D+02 -0.361487D+01 -0.158151D+01
               116           117           118           119           120 
      1  -0.257791D+01  0.175056D+01 -0.141451D+01 -0.107562D+01 -0.679999D+00
      2  -0.298254D+01  0.313670D+01  0.563653D-01  0.436196D+00 -0.116104D+00
      3  -0.553269D+01  0.343062D+01  0.259983D+01 -0.514108D+00  0.144099D+01
               121           122           123           124           125 
      1  -0.669189D+00 -0.666051D+01 -0.348867D+01 -0.103513D+01 -0.257775D+01
      2  -0.532474D+00 -0.240449D+01 -0.436939D+01 -0.100212D+01 -0.298258D+01
      3   0.830618D+00  0.130655D+02  0.361538D+01  0.158192D+01  0.553328D+01
               126           127           128           129           130 
      1  -0.175026D+01  0.687202D+01  0.212264D+01 -0.433774D+01  0.288912D+01
      2  -0.313676D+01 -0.148122D+01  0.529753D+00 -0.100150D+01 -0.443294D+00
      3   0.343072D+01  0.118258D+02  0.315410D+01 -0.673193D+01  0.600552D+01
               131           132           133           134           135 
      1   0.199976D+01 -0.332030D+01 -0.454456D+01 -0.206972D+01  0.354007D+01
      2   0.110530D+00 -0.507923D+00 -0.510110D+00 -0.123033D+00  0.160485D+01
      3   0.240440D+01 -0.253572D+01 -0.959625D+01 -0.250786D+01  0.448102D+01
               136           137           138           139           140 
      1  -0.687135D+01 -0.212294D+01 -0.433742D+01 -0.288932D+01 -0.200069D+01
      2   0.148144D+01 -0.529570D+00 -0.100088D+01  0.443535D+00 -0.110343D+00
      3   0.118252D+02  0.315470D+01  0.673083D+01  0.600654D+01  0.240610D+01
               141           142           143           144 
      1  -0.332043D+01 -0.454330D+01 -0.206930D+01 -0.353895D+01
      2  -0.507932D+00 -0.509728D+00 -0.123093D+00 -0.160441D+01
      3   0.253556D+01  0.959372D+01  0.250757D+01  0.447977D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.432393D+01 -0.102903D+01 -0.167490D+00  0.477349D+01  0.166683D+02
      2   0.175440D+01  0.186714D+01  0.339556D+01 -0.453116D+01 -0.248599D+02
      3   0.256953D+01 -0.838102D+00 -0.322807D+01 -0.242325D+00  0.819158D+01
      4   0.866844D+01  0.112816D+01  0.182850D+01 -0.799370D+01 -0.120949D+02
      5  -0.597392D+01  0.187964D+01 -0.165333D+00 -0.227553D+01 -0.116428D+01
      6  -0.153576D+01 -0.279196D+01  0.717460D+01 -0.280150D+01 -0.794262D+01
                 6             7             8             9            10 
      1   0.379631D+01 -0.101673D+02  0.865355D+01  0.399044D+01 -0.472474D+00
      2  -0.163955D+01  0.762404D+01 -0.863151D+01 -0.253203D+01  0.502027D+01
      3  -0.215676D+01  0.254325D+01 -0.220395D-01 -0.145841D+01 -0.454779D+01
      4  -0.379889D+01 -0.427359D+00 -0.754871D+01  0.202767D+01  0.597842D+01
      5   0.494169D+01  0.916675D+00  0.444782D+01 -0.586898D+01  0.853089D+00
      6  -0.119200D+02  0.107144D+01 -0.160438D+01 -0.387897D+01  0.372919D+01
                11            12            13            14            15 
      1   0.902252D+01  0.246295D+01  0.977026D+01 -0.289516D+02 -0.356883D+01
      2  -0.414732D+01 -0.176401D+01 -0.369498D+01  0.481130D+02  0.274366D+01
      3  -0.487520D+01 -0.698945D+00 -0.607528D+01 -0.191614D+02  0.825176D+00
      4   0.136998D+02  0.261698D+01  0.146928D+02  0.319948D+02  0.491809D+01
      5   0.270880D+01  0.504176D+01  0.641932D+01  0.257295D+00  0.530806D+01
      6   0.443643D+00 -0.190240D+01  0.981466D+00  0.158410D+02  0.168581D+02
                16            17            18            19            20 
      1   0.428435D+01 -0.997430D+01 -0.111183D+02  0.405149D+02 -0.577995D+01
      2  -0.279533D+01  0.723499D+01  0.290663D+01 -0.240565D+02  0.263204D+01
      3  -0.148902D+01  0.273931D+01  0.821165D+01 -0.164585D+02  0.314791D+01
      4   0.315261D+01  0.789849D+01  0.804081D+01 -0.840218D+01  0.962518D+01
      5   0.584429D+01  0.584441D+01  0.575600D+01  0.149311D+02 -0.283152D+01
      6  -0.662366D+00  0.157034D+02  0.115525D+02 -0.324916D+01  0.312812D+01
                21            22            23            24            25 
      1   0.734809D+01 -0.342295D+00  0.168697D+01  0.275872D+01  0.129067D+02
      2  -0.647721D+01  0.105889D+00 -0.921008D+00 -0.222957D+01 -0.112812D+02
      3  -0.870879D+00  0.236407D+00 -0.765958D+00 -0.529155D+00 -0.162556D+01
      4  -0.248789D+01  0.108359D+02  0.379901D+01  0.844294D+01 -0.468692D+01
      5   0.142710D+02  0.454431D+00  0.898882D+01 -0.536857D+00  0.177969D+02
      6  -0.431885D+01  0.273715D+01 -0.215306D+01  0.754291D+01 -0.306326D+01
                26            27            28            29            30 
      1  -0.276591D+00  0.456098D+01  0.834547D+00 -0.262998D+01 -0.465796D+01
      2   0.432323D+00 -0.147520D+02  0.160494D+01  0.375190D+01 -0.452423D+01
      3  -0.155732D+00  0.101910D+02 -0.243948D+01 -0.112192D+01  0.918219D+01
      4   0.106361D+02 -0.354620D+01 -0.242438D+01 -0.157238D+01  0.159745D+01
      5  -0.514673D+01  0.190742D+02  0.944021D-01  0.122089D+01 -0.734262D+01
      6   0.723910D+01 -0.546065D+01  0.595197D+01  0.365679D+01 -0.172421D+01
                31            32            33            34            35 
      1   0.644442D+00  0.226294D+01 -0.394008D+01 -0.269839D+01 -0.366225D+01
      2   0.318395D+01 -0.453321D+01 -0.677686D+01 -0.356118D+01 -0.145786D+01
      3  -0.382839D+01  0.227027D+01  0.107169D+02  0.625957D+01  0.512011D+01
      4  -0.685026D+01  0.368939D+01  0.123490D+01  0.149558D+01  0.230910D+01
      5   0.250716D+01  0.418260D+01 -0.757184D+01 -0.627943D+01 -0.464173D+01
      6   0.172826D+01 -0.260958D+01 -0.727973D+01 -0.133868D+01 -0.599659D+00
                36            37            38            39            40 
      1  -0.456575D+00  0.836106D+00 -0.262951D+01  0.465698D+01  0.645110D+00
      2   0.976736D+01  0.160463D+01  0.375220D+01  0.452419D+01  0.318318D+01
      3  -0.931079D+01 -0.244073D+01 -0.112269D+01 -0.918117D+01 -0.382829D+01
      4  -0.310180D+01 -0.242294D+01 -0.157219D+01 -0.159762D+01 -0.685008D+01
      5   0.134844D+02 -0.951485D-01 -0.122082D+01 -0.734158D+01 -0.250703D+01
      6   0.882889D+01 -0.595174D+01 -0.365732D+01 -0.172388D+01 -0.172897D+01
                41            42            43            44            45 
      1   0.226348D+01  0.393908D+01  0.269696D+01  0.366086D+01 -0.455449D+00
      2  -0.453293D+01  0.677677D+01  0.356100D+01  0.145862D+01  0.976643D+01
      3   0.226945D+01 -0.107159D+02 -0.625796D+01 -0.511948D+01 -0.931098D+01
      4   0.369122D+01 -0.123627D+01 -0.149617D+01 -0.231004D+01 -0.310079D+01
      5  -0.418412D+01 -0.757079D+01 -0.627708D+01 -0.464044D+01 -0.134855D+02
      6   0.261038D+01 -0.728074D+01 -0.133832D+01 -0.599529D+00 -0.882919D+01
                46            47            48            49            50 
      1  -0.432493D+01 -0.102824D+01  0.167843D+00  0.477274D+01  0.166670D+02
      2   0.175487D+01  0.186539D+01 -0.339598D+01 -0.453112D+01 -0.248601D+02
      3   0.257006D+01 -0.837146D+00  0.322813D+01 -0.241620D+00  0.819302D+01
      4   0.866737D+01  0.112618D+01 -0.182771D+01 -0.799604D+01 -0.120968D+02
      5   0.597512D+01 -0.187902D+01 -0.166411D+00  0.227617D+01  0.116449D+01
      6   0.153577D+01  0.279288D+01  0.717324D+01  0.280145D+01  0.794274D+01
                51            52            53            54            55 
      1  -0.379508D+01  0.101672D+02 -0.865138D+01  0.398916D+01 -0.470166D+00
      2   0.163968D+01 -0.762316D+01  0.862996D+01 -0.253179D+01  0.501933D+01
      3   0.215541D+01 -0.254403D+01  0.214203D-01 -0.145737D+01 -0.454917D+01
      4   0.379895D+01  0.427693D+00  0.754831D+01  0.202707D+01  0.597945D+01
      5   0.494060D+01  0.915133D+00  0.444705D+01  0.586972D+01 -0.853475D+00
      6  -0.119198D+02  0.107077D+01 -0.160450D+01  0.387809D+01 -0.372887D+01
                56            57            58            59            60 
      1   0.902178D+01 -0.246221D+01  0.976984D+01 -0.289503D+02  0.356786D+01
      2  -0.414583D+01  0.176397D+01 -0.369398D+01  0.481133D+02 -0.274331D+01
      3  -0.487595D+01  0.698239D+00 -0.607586D+01 -0.191631D+02 -0.824557D+00
      4   0.137022D+02 -0.261679D+01  0.146945D+02  0.319966D+02 -0.491781D+01
      5  -0.270857D+01  0.504219D+01 -0.641977D+01 -0.256947D+00  0.530891D+01
      6  -0.444643D+00 -0.190133D+01 -0.981566D+00 -0.158409D+02  0.168573D+02
                61            62            63            64            65 
      1  -0.428352D+01  0.997313D+01 -0.111169D+02  0.724022D+01  0.965775D+00
      2   0.279503D+01 -0.723377D+01  0.290672D+01 -0.375812D+01 -0.494148D+01
      3   0.148849D+01 -0.273937D+01  0.821016D+01 -0.348210D+01  0.397571D+01
      4  -0.315236D+01 -0.789754D+01  0.804091D+01 -0.110097D+02  0.107837D+02
      5   0.584455D+01  0.584444D+01 -0.575546D+01 -0.258908D+01  0.211115D+01
      6  -0.661475D+00  0.157030D+02 -0.115516D+02  0.831590D+01 -0.441691D+01
                66            67            68            69            70 
      1   0.171649D+01 -0.708210D+00 -0.118401D+02 -0.318291D+01  0.944978D+00
      2   0.123396D+01 -0.434011D+01  0.210309D+02  0.530419D+01  0.116948D+01
      3  -0.295045D+01  0.504832D+01 -0.919076D+01 -0.212128D+01 -0.211446D+01
      4   0.406705D+01  0.996675D+01 -0.142598D+02 -0.217738D+01  0.651838D+01
      5   0.895607D+01  0.142620D+01 -0.768902D+01 -0.145216D+01  0.767876D+01
      6  -0.484835D+01 -0.176063D+01  0.129200D+02  0.114238D+02 -0.540200D+01
                71            72            73            74            75 
      1  -0.611356D+01 -0.559544D+01  0.724153D+01  0.967250D+00 -0.171581D+01
      2   0.462872D+01 -0.320302D+01 -0.375998D+01 -0.494418D+01 -0.123419D+01
      3   0.148484D+01  0.879846D+01 -0.348156D+01  0.397693D+01  0.295000D+01
      4  -0.469808D+01 -0.572834D+01 -0.110101D+02  0.107833D+02 -0.406699D+01
      5  -0.395541D+01 -0.471978D+01  0.259044D+01 -0.211156D+01  0.895642D+01
      6   0.969173D+01  0.933205D+01 -0.831526D+01  0.441754D+01 -0.484802D+01
                76            77            78            79            80 
      1  -0.707241D+00 -0.118380D+02  0.318331D+01 -0.944106D+00  0.611419D+01
      2  -0.434126D+01  0.210273D+02 -0.530455D+01 -0.117007D+01 -0.462961D+01
      3   0.504850D+01 -0.918923D+01  0.212123D+01  0.211418D+01 -0.148458D+01
      4   0.996656D+01 -0.142611D+02  0.217807D+01 -0.651718D+01  0.469746D+01
      5  -0.142623D+01  0.769024D+01 -0.145272D+01  0.767894D+01 -0.395577D+01
      6   0.176126D+01 -0.129203D+02  0.114243D+02 -0.540052D+01  0.969139D+01
                81            82            83            84            85 
      1  -0.559491D+01  0.405118D+02 -0.578026D+01 -0.734828D+01 -0.342845D+00
      2  -0.320342D+01 -0.240552D+02  0.263252D+01  0.647739D+01  0.106177D+00
      3   0.879833D+01 -0.164566D+02  0.314774D+01  0.870892D+00  0.236668D+00
      4  -0.572779D+01 -0.840242D+01  0.962498D+01  0.248761D+01  0.108353D+02
      5   0.471961D+01 -0.149315D+02  0.283141D+01  0.142710D+02 -0.454291D+00
      6  -0.933112D+01  0.324894D+01 -0.312820D+01 -0.431859D+01 -0.273660D+01
                86            87            88            89            90 
      1   0.168636D+01 -0.275882D+01 -0.129058D+02  0.276250D+00  0.455997D+01
      2  -0.921183D+00  0.222951D+01  0.112805D+02 -0.432300D+00 -0.147520D+02
      3  -0.765173D+00  0.529316D+00  0.162533D+01  0.156050D+00  0.101920D+02
      4   0.379925D+01 -0.844248D+01  0.468702D+01 -0.106359D+02 -0.354639D+01
      5  -0.898826D+01 -0.537006D+00  0.177966D+02 -0.514682D+01 -0.190748D+02
      6   0.215297D+01  0.754262D+01 -0.306316D+01  0.723952D+01  0.546108D+01
                91            92            93            94            95 
      1   0.296691D+01  0.141504D+01 -0.442203D+00  0.572253D+00 -0.220855D+01
      2  -0.716202D+01 -0.193423D+01  0.711634D+01 -0.171636D+01 -0.194380D+01
      3   0.419512D+01  0.519198D+00 -0.667413D+01  0.114411D+01  0.415235D+01
      4   0.286962D+01  0.318354D+01 -0.183165D+01  0.426638D+01  0.335607D+01
      5  -0.961714D+01 -0.246623D+01  0.130624D+02 -0.365393D+01 -0.541396D+01
      6  -0.330663D+01 -0.252558D+01  0.277106D+01 -0.312426D+01 -0.530311D+01
                96            97            98            99           100 
      1   0.367874D+01 -0.948485D-01  0.245000D+01 -0.101288D+02  0.296667D+01
      2   0.398877D+01  0.688457D+01  0.281756D+01 -0.169893D+02 -0.716168D+01
      3  -0.766751D+01 -0.678972D+01 -0.526755D+01  0.271180D+02  0.419502D+01
      4  -0.399054D+01 -0.195578D+01 -0.361527D+01  0.337368D+01  0.286959D+01
      5   0.721820D+01  0.117511D+02  0.437470D+01 -0.206396D+02  0.961681D+01
      6   0.902291D+01  0.256278D+01  0.622129D+01 -0.864089D+01  0.330693D+01
               101           102           103           104           105 
      1   0.141503D+01  0.442380D+00  0.572211D+00 -0.220857D+01 -0.367857D+01
      2  -0.193423D+01 -0.711592D+01 -0.171617D+01 -0.194365D+01 -0.398849D+01
      3   0.519202D+00  0.667354D+01  0.114396D+01  0.415222D+01  0.766706D+01
      4   0.318362D+01  0.183178D+01  0.426642D+01  0.335616D+01  0.399062D+01
      5   0.246629D+01  0.130619D+02  0.365377D+01  0.541400D+01  0.721810D+01
      6   0.252562D+01  0.277108D+01  0.312426D+01  0.530325D+01  0.902294D+01
               106           107           108           109           110 
      1   0.951670D-01 -0.244999D+01 -0.101286D+02  0.336196D+01 -0.351626D+01
      2  -0.688424D+01 -0.281757D+01 -0.169884D+02 -0.342839D+00  0.465977D+00
      3   0.678907D+01  0.526756D+01  0.271170D+02 -0.301912D+01  0.305028D+01
      4   0.195594D+01  0.361554D+01  0.337380D+01 -0.455699D+01  0.395646D+01
      5   0.117505D+02  0.437482D+01  0.206395D+02  0.191701D+01  0.662640D+00
      6   0.256289D+01  0.622142D+01  0.864156D+01 -0.260607D+00 -0.133052D+00
               111           112           113           114           115 
      1   0.111360D+01 -0.104223D+02  0.265817D+01  0.236837D+01  0.608097D+01
      2  -0.120816D+01  0.428322D+01  0.370122D+01 -0.326641D+01 -0.315944D+01
      3   0.945577D-01  0.613905D+01 -0.635939D+01  0.898031D+00 -0.292153D+01
      4  -0.283648D+00  0.762791D+01 -0.189017D+02  0.735037D+00 -0.836854D+00
      5  -0.292666D-01  0.456311D+01  0.170928D+01 -0.662336D+01 -0.115779D+01
      6  -0.900184D-01 -0.239009D+01  0.448256D+01  0.184959D+01  0.539569D+00
               116           117           118           119           120 
      1  -0.103044D+01 -0.175133D+01  0.336153D+01 -0.351623D+01 -0.111395D+01
      2  -0.251168D+00  0.235158D+01 -0.342545D+00  0.465870D+00  0.120839D+01
      3   0.128161D+01 -0.600245D+00 -0.301898D+01  0.305036D+01 -0.944384D-01
      4   0.465106D+01 -0.271653D+01 -0.455682D+01  0.395638D+01  0.283814D+00
      5  -0.329970D+01  0.315438D+01 -0.191753D+01 -0.662470D+00 -0.293282D-01
      6   0.541256D+00  0.928803D-01  0.260753D+00  0.132876D+00 -0.901103D-01
               121           122           123           124           125 
      1  -0.104232D+02  0.265837D+01 -0.236841D+01 -0.608181D+01  0.103049D+01
      2   0.428379D+01  0.370071D+01  0.326640D+01  0.315997D+01  0.251093D+00
      3   0.613941D+01 -0.635908D+01 -0.897993D+00  0.292184D+01 -0.128158D+01
      4   0.762789D+01 -0.189013D+02 -0.735611D+00  0.837161D+00 -0.465156D+01
      5  -0.456294D+01 -0.170992D+01 -0.662338D+01 -0.115758D+01 -0.329990D+01
      6   0.238980D+01 -0.448191D+01  0.184920D+01  0.539431D+00  0.541176D+00
               126           127           128           129           130 
      1  -0.175119D+01 -0.193206D+01 -0.229404D+01 -0.274334D+01 -0.236355D+01
      2   0.235142D+01  0.284457D+01  0.422881D+01 -0.728625D+00  0.286269D+01
      3  -0.600229D+00 -0.912513D+00 -0.193477D+01  0.347196D+01 -0.499141D+00
      4  -0.271673D+01  0.599222D+01 -0.246649D+01 -0.229608D+01  0.359677D+01
      5  -0.315469D+01  0.157702D+01  0.118365D+01 -0.290790D+01  0.159095D+01
      6  -0.929351D-01 -0.449261D+01  0.379110D+01  0.293801D+01 -0.961812D+00
               131           132           133           134           135 
      1  -0.583573D+01 -0.394509D-01  0.109985D+01  0.183927D+01 -0.923197D-01
      2   0.105318D+02 -0.206238D+01 -0.117060D+01 -0.380507D+01  0.186010D+01
      3  -0.469603D+01  0.210183D+01  0.707570D-01  0.196580D+01 -0.176778D+01
      4  -0.467993D+00 -0.525449D+00 -0.477543D+01  0.343247D+01  0.165067D+01
      5   0.737714D+00 -0.128362D+01 -0.408605D+00 -0.507747D+00  0.209560D+01
      6   0.121819D+01  0.338983D+01  0.340763D+01  0.114627D+01 -0.225612D+01
               136           137           138           139           140 
      1  -0.193298D+01 -0.229566D+01  0.274259D+01 -0.236485D+01 -0.583752D+01
      2   0.284604D+01  0.423133D+01  0.728687D+00  0.286449D+01  0.105350D+02
      3  -0.913058D+00 -0.193567D+01 -0.347128D+01 -0.499639D+00 -0.469751D+01
      4   0.599169D+01 -0.246429D+01  0.229542D+01  0.359757D+01 -0.467701D+00
      5  -0.157742D+01 -0.118403D+01 -0.290732D+01 -0.159138D+01 -0.737909D+00
      6   0.449120D+01 -0.379090D+01  0.293777D+01  0.961550D+00 -0.121928D+01
               141           142           143           144 
      1   0.395855D-01 -0.110022D+01 -0.183937D+01 -0.928355D-01
      2   0.206246D+01  0.117072D+01  0.380543D+01  0.185969D+01
      3  -0.210205D+01 -0.704981D-01 -0.196606D+01 -0.176686D+01
      4   0.525597D+00  0.477369D+01 -0.343143D+01  0.164995D+01
      5  -0.128382D+01 -0.408267D+00 -0.507840D+00 -0.209480D+01
      6   0.338977D+01  0.340644D+01  0.114663D+01  0.225466D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 15:37:12 2021, MaxMem= 10737418240 cpu:           12237.9 elap:             766.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.54266 -19.54265 -19.51312 -19.51311 -19.49546
 Alpha  occ. eigenvalues --  -19.49544 -10.61912 -10.61911 -10.55671 -10.55651
 Alpha  occ. eigenvalues --   -1.28496  -1.27722  -1.20693  -1.20517  -1.18576
 Alpha  occ. eigenvalues --   -1.17298  -0.93649  -0.85925  -0.77750  -0.77653
 Alpha  occ. eigenvalues --   -0.74035  -0.70174  -0.70151  -0.64419  -0.63999
 Alpha  occ. eigenvalues --   -0.61889  -0.61245  -0.59147  -0.57771  -0.57100
 Alpha  occ. eigenvalues --   -0.53897  -0.53274  -0.50520  -0.49391  -0.48655
 Alpha  occ. eigenvalues --   -0.47526  -0.47285  -0.41771  -0.41286
 Alpha virt. eigenvalues --    0.01686   0.03576   0.03630   0.04304   0.05283
 Alpha virt. eigenvalues --    0.06097   0.07716   0.07811   0.08160   0.09501
 Alpha virt. eigenvalues --    0.09599   0.12605   0.12797   0.13455   0.13840
 Alpha virt. eigenvalues --    0.14002   0.14998   0.15175   0.16405   0.18510
 Alpha virt. eigenvalues --    0.18970   0.19061   0.20074   0.20315   0.21324
 Alpha virt. eigenvalues --    0.22432   0.22513   0.23784   0.25719   0.26056
 Alpha virt. eigenvalues --    0.26784   0.27247   0.28459   0.29231   0.30158
 Alpha virt. eigenvalues --    0.30985   0.31189   0.31726   0.32668   0.34451
 Alpha virt. eigenvalues --    0.34456   0.35003   0.35413   0.36616   0.38039
 Alpha virt. eigenvalues --    0.38914   0.39316   0.39720   0.40381   0.40804
 Alpha virt. eigenvalues --    0.42137   0.42374   0.42905   0.43794   0.44996
 Alpha virt. eigenvalues --    0.46444   0.47988   0.48200   0.48268   0.49003
 Alpha virt. eigenvalues --    0.50322   0.51307   0.51738   0.52117   0.52431
 Alpha virt. eigenvalues --    0.53817   0.53849   0.54777   0.55035   0.55835
 Alpha virt. eigenvalues --    0.57217   0.57456   0.59159   0.59854   0.61632
 Alpha virt. eigenvalues --    0.62559   0.62674   0.63940   0.64260   0.64333
 Alpha virt. eigenvalues --    0.65145   0.66171   0.66908   0.68000   0.68750
 Alpha virt. eigenvalues --    0.69855   0.70596   0.70716   0.70819   0.71321
 Alpha virt. eigenvalues --    0.72920   0.73243   0.74696   0.74938   0.78091
 Alpha virt. eigenvalues --    0.78205   0.81049   0.81265   0.81911   0.81945
 Alpha virt. eigenvalues --    0.82120   0.82580   0.84693   0.86334   0.88035
 Alpha virt. eigenvalues --    0.88849   0.90223   0.91016   0.93423   0.95268
 Alpha virt. eigenvalues --    0.96377   0.98211   0.98413   1.00537   1.02293
 Alpha virt. eigenvalues --    1.04986   1.07257   1.07594   1.10183   1.11332
 Alpha virt. eigenvalues --    1.13122   1.14808   1.16015   1.17587   1.19073
 Alpha virt. eigenvalues --    1.19320   1.21064   1.25684   1.27474   1.27587
 Alpha virt. eigenvalues --    1.33662   1.34538   1.37180   1.41670   1.48607
 Alpha virt. eigenvalues --    1.48625   1.49898   1.52790   1.54431   1.55023
 Alpha virt. eigenvalues --    1.56815   1.58809   1.62689   1.66463   1.67583
 Alpha virt. eigenvalues --    1.69657   1.70086   1.72119   1.74369   1.75542
 Alpha virt. eigenvalues --    1.79209   1.79261   1.82381   1.83485   1.83526
 Alpha virt. eigenvalues --    1.84642   1.88521   1.88676   1.91658   1.93532
 Alpha virt. eigenvalues --    1.95204   1.96364   1.98811   1.99502   2.01822
 Alpha virt. eigenvalues --    2.03246   2.05569   2.05889   2.08647   2.09405
 Alpha virt. eigenvalues --    2.10456   2.12174   2.15581   2.15594   2.19176
 Alpha virt. eigenvalues --    2.19407   2.21413   2.24271   2.28290   2.30864
 Alpha virt. eigenvalues --    2.31118   2.35210   2.39436   2.40170   2.42277
 Alpha virt. eigenvalues --    2.44687   2.45900   2.50468   2.51808   2.56565
 Alpha virt. eigenvalues --    2.58284   2.61338   2.63874   2.64384   2.84926
 Alpha virt. eigenvalues --    2.94055   2.95721   3.00201   3.01921   3.03473
 Alpha virt. eigenvalues --    3.03572   3.05890   3.06320   3.08777   3.11989
 Alpha virt. eigenvalues --    3.12846   3.15199   3.16299   3.17356   3.22977
 Alpha virt. eigenvalues --    3.24684   3.29422   3.29900   3.31031   3.33934
 Alpha virt. eigenvalues --    3.51144   3.51706   3.55245   3.61475   3.65241
 Alpha virt. eigenvalues --    3.65463   3.83478   3.84658   3.96219   3.98064
 Alpha virt. eigenvalues --    3.99500   4.02425
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.694391   0.079057  -0.070800  -0.888201  -0.089049   0.061632
     2  O    0.079057   8.096778   0.113676   0.126710   0.008268  -0.033352
     3  O   -0.070800   0.113676   7.928778   0.088769   0.011493  -0.039965
     4  C   -0.888201   0.126710   0.088769   5.995614   0.195641  -0.089055
     5  C   -0.089049   0.008268   0.011493   0.195641   5.995817  -0.888534
     6  C    0.061632  -0.033352  -0.039965  -0.089055  -0.888534   6.694885
     7  O   -0.033366   0.020136  -0.001947   0.008278   0.126810   0.078869
     8  O    0.118009  -0.025116  -0.043218   0.025300  -0.113000   0.016041
     9  O    0.016002  -0.093154  -0.015959  -0.112966   0.025257   0.118072
    10  O   -0.039962  -0.001954   0.016157   0.011486   0.088808  -0.070876
    11  H   -0.096441   0.015113   0.006477   0.355858   0.010992   0.004939
    12  H    0.004932   0.005937   0.001360   0.011022   0.355883  -0.096465
    13  H    0.008769   0.001606  -0.000721   0.001621  -0.041185   0.144468
    14  H    0.144434  -0.023361   0.157289  -0.041152   0.001618   0.008769
    15  H   -0.045524   0.002850   0.003435   0.102949  -0.000608  -0.011295
    16  H   -0.011299   0.009093   0.001625  -0.000583   0.102972  -0.045547
               7          8          9         10         11         12
     1  C   -0.033366   0.118009   0.016002  -0.039962  -0.096441   0.004932
     2  O    0.020136  -0.025116  -0.093154  -0.001954   0.015113   0.005937
     3  O   -0.001947  -0.043218  -0.015959   0.016157   0.006477   0.001360
     4  C    0.008278   0.025300  -0.112966   0.011486   0.355858   0.011022
     5  C    0.126810  -0.113000   0.025257   0.088808   0.010992   0.355883
     6  C    0.078869   0.016041   0.118072  -0.070876   0.004939  -0.096465
     7  O    8.096930  -0.093205  -0.025129   0.113723   0.005940   0.015105
     8  O   -0.093205   8.278586   0.025143  -0.015965  -0.042430   0.046021
     9  O   -0.025129   0.025143   8.278586  -0.043221   0.046020  -0.042432
    10  O    0.113723  -0.015965  -0.043221   7.928783   0.001359   0.006480
    11  H    0.005940  -0.042430   0.046020   0.001359   0.839666  -0.091221
    12  H    0.015105   0.046021  -0.042432   0.006480  -0.091221   0.839610
    13  H   -0.023372   0.002487   0.023473   0.157283   0.000088   0.007456
    14  H    0.001608   0.023461   0.002486  -0.000721   0.007456   0.000088
    15  H    0.009069   0.211996   0.001857   0.001621   0.002047  -0.011074
    16  H    0.002852   0.001854   0.211950   0.003439  -0.011072   0.002042
              13         14         15         16
     1  C    0.008769   0.144434  -0.045524  -0.011299
     2  O    0.001606  -0.023361   0.002850   0.009093
     3  O   -0.000721   0.157289   0.003435   0.001625
     4  C    0.001621  -0.041152   0.102949  -0.000583
     5  C   -0.041185   0.001618  -0.000608   0.102972
     6  C    0.144468   0.008769  -0.011295  -0.045547
     7  O   -0.023372   0.001608   0.009069   0.002852
     8  O    0.002487   0.023461   0.211996   0.001854
     9  O    0.023473   0.002486   0.001857   0.211950
    10  O    0.157283  -0.000721   0.001621   0.003439
    11  H    0.000088   0.007456   0.002047  -0.011072
    12  H    0.007456   0.000088  -0.011074   0.002042
    13  H    0.458754  -0.000156   0.000150  -0.006909
    14  H   -0.000156   0.458743  -0.006905   0.000150
    15  H    0.000150  -0.006905   0.432576  -0.000261
    16  H   -0.006909   0.000150  -0.000261   0.432595
 Mulliken charges:
               1
     1  C    0.147416
     2  O   -0.302287
     3  O   -0.156448
     4  C    0.208710
     5  C    0.208818
     6  C    0.147415
     7  O   -0.302301
     8  O   -0.415963
     9  O   -0.415986
    10  O   -0.156440
    11  H   -0.054791
    12  H   -0.054744
    13  H    0.266187
    14  H    0.266195
    15  H    0.307118
    16  H    0.307100
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.147416
     2  O   -0.302287
     3  O    0.109747
     4  C    0.153919
     5  C    0.154075
     6  C    0.147415
     7  O   -0.302301
     8  O   -0.108845
     9  O   -0.108885
    10  O    0.109748
 Electronic spatial extent (au):  <R**2>=           1292.6604
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0001    Y=             -0.0003    Z=              2.5815  Tot=              2.5815
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -59.5252   YY=            -62.7482   ZZ=            -60.7221
   XY=             -5.7121   XZ=             -0.0005   YZ=             -0.0005
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.4733   YY=             -1.7497   ZZ=              0.2764
   XY=             -5.7121   XZ=             -0.0005   YZ=             -0.0005
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0006  YYY=             -0.0036  ZZZ=              3.7000  XYY=             -0.0000
  XXY=              0.0001  XXZ=             11.1575  XZZ=             -0.0004  YZZ=              0.0001
  YYZ=             -4.3823  XYZ=             14.9407
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -818.1251 YYYY=           -457.7509 ZZZZ=           -267.1540 XXXY=            -40.5426
 XXXZ=             -0.0028 YYYX=            -29.5586 YYYZ=             -0.0040 ZZZX=             -0.0005
 ZZZY=              0.0008 XXYY=           -211.4239 XXZZ=           -195.2445 YYZZ=           -138.6932
 XXYZ=              0.0017 YYXZ=             -0.0010 ZZXY=              3.5790
 N-N= 5.913890664853D+02 E-N=-2.604722188796D+03  KE= 6.007087666537D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 15:37:13 2021, MaxMem= 10737418240 cpu:               4.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.19188643D-05-1.01865537D-04 9.35564656D-01
 Polarizability= 6.82333002D+01-5.89844644D+00 7.18317221D+01
                -2.96794281D-04 1.99158540D-04 5.71173438D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0001    0.0001       -2.8899   -2.8844
 2     -0.0001   -0.0001       -0.0001   -0.0001        2.2030    2.1967
 3      2.8899    2.8844        5.2526    5.2558        0.0001    0.0001
 4      0.0001    0.0001       -0.0000    0.0000        2.8844    2.8844
 5     -7.4556   -7.4525       -2.8844   -2.8844        0.0001    0.0001
 6     -0.0001   -0.0001       -0.0001   -0.0001       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0003   -0.0003       -8.6532   -8.6532
 2      0.0004    0.0004        0.0000    0.0000       -8.6532   -8.6532
 3      0.0004    0.0004       -0.0003   -0.0003        0.0000    0.0000
 4     -0.0003   -0.0003       -0.0004   -0.0004        6.5901    6.5901
 5      8.6532    8.6532       15.7675   15.7675        0.0004    0.0004
 6    -22.3576  -22.3576       -8.6532   -8.6532        0.0003    0.0003
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0002    0.0000       -0.0002   -0.0005       11.3232   11.5377
 2      0.0004    0.0005        0.0005    0.0005       -8.9075   -8.7868
 3    -11.4185  -11.5377      -21.6561  -21.0234       -0.0002   -0.0005
 4     -0.0004   -0.0005        0.0001    0.0000      -11.8769  -11.5377
 5     30.0839   29.8101       11.4283   11.5377       -0.0004   -0.0005
 6      0.0005    0.0005        0.0005    0.0005        0.0363    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0006    0.0004       20.7503   19.7198
 2     -0.0008   -0.0004       -0.0001   -0.0007       34.2031   34.2627
 3    -19.5638  -19.7198      -13.1995  -12.4584        0.0002    0.0007
 4      0.0004    0.0007        0.0001    0.0000      -20.1413  -19.7198
 5    -21.4824  -21.8044       19.9995   19.7198        0.0002    0.0004
 6     -0.0004   -0.0007       -0.0008   -0.0004       -0.3821    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0009    0.0006       -0.0022   -0.0018      -18.2723  -18.1447
 2      0.0008    0.0009       -0.0028   -0.0030      -18.1805  -18.1447
 3      0.0009    0.0009       -0.0018   -0.0018      -36.4799  -35.9302
 4      0.0011    0.0012        0.0001   -0.0003       42.9136   42.9517
 5    -17.7077  -17.7855      -14.9609  -14.0754       -0.0001    0.0003
 6    -29.0136  -28.8763       18.6141   17.7855       -0.0018   -0.0012
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.5824   -4.8554   -2.4419    0.0002    0.0005    0.0006
 Low frequencies ---   60.1483   80.2874   98.5271
 Diagonal vibrational polarizability:
       56.9005948      18.0374059      31.6821870
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     60.1483                80.2874                98.5269
 Red. masses --      9.4010                11.0952                10.0636
 Frc consts  --      0.0200                 0.0421                 0.0576
 IR Inten    --      1.4532                 0.3799                 4.5348
 RamAct Fr= 1--      1.1543                 0.7451                 0.5258
  Dep-P Fr= 1--      0.7490                 0.7044                 0.7500
  Dep-U Fr= 1--      0.8565                 0.8265                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0000
 Beta2  Fr= 1--      0.1648                 0.1026                 0.0751
 AlphaG Fr= 1--      0.0009                 0.0011                -0.0000
 Gamma2 Fr= 1--     -0.2119                -0.0668                 0.0263
 Delta2 Fr= 1--     -0.0288                -0.0202                 0.0129
 Raman1 Fr= 1--       4.617                  2.981                  2.103
 ROA1   Fr= 1--     -21.263                 -7.057                  2.937
 CID1   Fr= 1--      -4.605                 -2.368                  1.397
 Raman2 Fr= 1--       1.977                  1.232                  0.901
 ROA2   Fr= 1--      -4.854                 -1.442                  0.528
 CID2   Fr= 1--      -2.455                 -1.170                  0.586
 Raman3 Fr= 1--       3.954                  2.464                  1.803
 ROA3   Fr= 1--     -21.263                 -7.057                  2.937
 CID3   Fr= 1--      -5.377                 -2.865                  1.629
 RC180  Fr= 1--       0.713                  0.653                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.04    -0.17  -0.07   0.05     0.04  -0.01  -0.05
     2   8    -0.19  -0.20   0.30    -0.23  -0.09   0.09     0.28   0.09  -0.22
     3   8     0.22  -0.02  -0.22    -0.32  -0.13   0.20    -0.26  -0.18   0.19
     4   6    -0.01  -0.00  -0.00     0.01   0.03  -0.11     0.00   0.05  -0.05
     5   6     0.01   0.00  -0.00    -0.01  -0.03  -0.11     0.00   0.05   0.05
     6   6     0.01   0.08   0.04     0.17   0.07   0.05     0.04  -0.01   0.05
     7   8     0.19   0.20   0.30     0.23   0.09   0.09     0.28   0.09   0.22
     8   8    -0.02  -0.01  -0.09     0.05   0.04  -0.24    -0.03   0.05  -0.14
     9   8     0.02   0.01  -0.09    -0.05  -0.04  -0.24    -0.03   0.05   0.14
    10   8    -0.22   0.02  -0.22     0.32   0.13   0.20    -0.26  -0.18  -0.19
    11   1     0.01   0.04   0.02     0.04   0.15  -0.03    -0.04   0.10  -0.05
    12   1    -0.01  -0.04   0.02    -0.04  -0.15  -0.03    -0.04   0.10   0.05
    13   1    -0.30  -0.03  -0.33     0.21   0.09   0.10    -0.33  -0.18  -0.19
    14   1     0.30   0.03  -0.33    -0.21  -0.09   0.10    -0.33  -0.18   0.19
    15   1     0.12   0.01   0.08     0.10  -0.02  -0.23     0.02   0.06  -0.07
    16   1    -0.12  -0.01   0.08    -0.10   0.02  -0.23     0.02   0.06   0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    235.6803               258.0366               313.1501
 Red. masses --      7.0100                 7.0185                 6.1835
 Frc consts  --      0.2294                 0.2753                 0.3573
 IR Inten    --      1.1777                45.7005                27.4254
 RamAct Fr= 1--      0.5348                 0.0115                 0.8393
  Dep-P Fr= 1--      0.2611                 0.7500                 0.1347
  Dep-U Fr= 1--      0.4140                 0.8571                 0.2375
 Alpha2 Fr= 1--      0.0061                 0.0000                 0.0135
 Beta2  Fr= 1--      0.0369                 0.0016                 0.0332
 AlphaG Fr= 1--     -0.0102                -0.0000                -0.0031
 Gamma2 Fr= 1--     -0.1992                 0.0871                 0.2579
 Delta2 Fr= 1--     -0.1446                 0.0053                 0.1438
 Raman1 Fr= 1--       2.139                  0.046                  3.357
 ROA1   Fr= 1--     -23.752                  8.534                 29.365
 CID1   Fr= 1--     -11.103                185.869                  8.747
 Raman2 Fr= 1--       0.443                  0.020                  0.399
 ROA2   Fr= 1--      -3.624                  2.049                  5.040
 CID2   Fr= 1--      -8.183                104.111                 12.643
 Raman3 Fr= 1--       0.886                  0.039                  0.797
 ROA3   Fr= 1--     -23.752                  8.534                 29.365
 CID3   Fr= 1--     -26.815                216.848                 36.831
 RC180  Fr= 1--      -0.172                  0.714                 -0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.01   0.09     0.04   0.02   0.07     0.03  -0.08   0.05
     2   8     0.23   0.04   0.06     0.19   0.03   0.13    -0.04  -0.05  -0.11
     3   8     0.09  -0.08   0.04     0.03  -0.14  -0.08     0.15   0.15   0.19
     4   6     0.02   0.11   0.08    -0.04   0.07   0.08     0.00  -0.09   0.07
     5   6    -0.02  -0.11   0.08    -0.04   0.07  -0.08    -0.00   0.09   0.07
     6   6    -0.11  -0.01   0.09     0.04   0.02  -0.07    -0.03   0.08   0.05
     7   8    -0.23  -0.04   0.06     0.19   0.03  -0.13     0.04   0.05  -0.11
     8   8     0.18   0.14  -0.22    -0.19   0.04   0.26    -0.12  -0.09  -0.18
     9   8    -0.18  -0.14  -0.22    -0.19   0.04  -0.26     0.12   0.09  -0.18
    10   8    -0.09   0.08   0.04     0.03  -0.14   0.08    -0.15  -0.15   0.19
    11   1    -0.09   0.30   0.12     0.06  -0.06   0.07    -0.00  -0.00   0.11
    12   1     0.09  -0.30   0.12     0.06  -0.06  -0.07     0.00   0.00   0.11
    13   1    -0.07   0.04  -0.03    -0.21  -0.12   0.12    -0.36  -0.07   0.37
    14   1     0.07  -0.04  -0.03    -0.21  -0.12  -0.12     0.36   0.07   0.37
    15   1     0.26  -0.08  -0.31    -0.28   0.20   0.30    -0.08  -0.10  -0.15
    16   1    -0.26   0.08  -0.31    -0.28   0.20  -0.30     0.08   0.10  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    316.8206               383.7256               436.0389
 Red. masses --      6.5230                 9.9559                 6.7727
 Frc consts  --      0.3858                 0.8637                 0.7587
 IR Inten    --     17.3903                 0.5802                31.4800
 RamAct Fr= 1--      0.0398                 2.3280                 0.9825
  Dep-P Fr= 1--      0.7500                 0.7353                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8475                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0000
 Beta2  Fr= 1--      0.0057                 0.3288                 0.1404
 AlphaG Fr= 1--      0.0000                -0.0040                -0.0000
 Gamma2 Fr= 1--     -0.0265                -0.1640                 1.1422
 Delta2 Fr= 1--     -0.0154                -0.2569                 0.4279
 Raman1 Fr= 1--       0.159                  9.312                  3.930
 ROA1   Fr= 1--      -3.032                -23.965                123.342
 CID1   Fr= 1--     -19.068                 -2.573                 31.384
 Raman2 Fr= 1--       0.068                  3.946                  1.684
 ROA2   Fr= 1--      -0.512                 -1.880                 23.989
 CID2   Fr= 1--      -7.514                 -0.477                 14.242
 Raman3 Fr= 1--       0.136                  7.892                  3.369
 ROA3   Fr= 1--      -3.032                -23.965                123.342
 CID3   Fr= 1--     -22.246                 -3.037                 36.614
 RC180  Fr= 1--       0.714                  0.695                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05  -0.08     0.05  -0.18  -0.05     0.17   0.02  -0.19
     2   8    -0.02   0.03   0.03    -0.09  -0.18  -0.18    -0.17  -0.11  -0.03
     3   8    -0.16  -0.11  -0.17     0.08  -0.09   0.06    -0.05  -0.07   0.04
     4   6    -0.05   0.01  -0.05     0.07  -0.10   0.02     0.24   0.12  -0.18
     5   6    -0.05   0.01   0.05    -0.07   0.10   0.02     0.24   0.12   0.18
     6   6    -0.06   0.05   0.08    -0.05   0.18  -0.05     0.17   0.02   0.19
     7   8    -0.02   0.03  -0.03     0.09   0.18  -0.18    -0.17  -0.11   0.03
     8   8     0.29   0.04   0.13     0.37  -0.09   0.14    -0.08   0.07   0.09
     9   8     0.29   0.04  -0.13    -0.37   0.09   0.14    -0.08   0.07  -0.09
    10   8    -0.16  -0.11   0.17    -0.08   0.09   0.06    -0.05  -0.07  -0.04
    11   1    -0.18  -0.01  -0.11     0.04  -0.12  -0.01     0.13  -0.07  -0.32
    12   1    -0.18  -0.01   0.11    -0.04   0.12  -0.01     0.13  -0.07   0.32
    13   1    -0.30  -0.04   0.33    -0.15   0.10   0.07     0.03  -0.03   0.06
    14   1    -0.30  -0.04  -0.33     0.15  -0.10   0.07     0.03  -0.03  -0.06
    15   1     0.24  -0.06  -0.01     0.33  -0.16   0.01    -0.16   0.28   0.17
    16   1     0.24  -0.06   0.01    -0.33   0.16   0.01    -0.16   0.28  -0.17
                     10                     11                     12
                      A                      A                      A
 Frequencies --    523.9481               540.3329               588.7258
 Red. masses --      4.9972                 7.8581                 6.2214
 Frc consts  --      0.8083                 1.3517                 1.2705
 IR Inten    --      9.0176                 1.6826                 0.3915
 RamAct Fr= 1--      3.7007                 2.3623                 4.7517
  Dep-P Fr= 1--      0.0799                 0.7500                 0.3040
  Dep-U Fr= 1--      0.1480                 0.8571                 0.4663
 Alpha2 Fr= 1--      0.0680                 0.0000                 0.0481
 Beta2  Fr= 1--      0.0913                 0.3375                 0.3693
 AlphaG Fr= 1--     -0.0394                -0.0000                 0.0673
 Gamma2 Fr= 1--      0.6766                -1.1194                -0.1806
 Delta2 Fr= 1--      0.3199                 0.1330                -0.8544
 Raman1 Fr= 1--      14.803                  9.449                 19.007
 ROA1   Fr= 1--      75.194               -103.208                -44.679
 CID1   Fr= 1--       5.080                -10.922                 -2.351
 Raman2 Fr= 1--       1.096                  4.050                  4.431
 ROA2   Fr= 1--      13.680                -27.930                  2.501
 CID2   Fr= 1--      12.485                 -6.897                  0.564
 Raman3 Fr= 1--       2.192                  8.099                  8.863
 ROA3   Fr= 1--      75.194               -103.208                -44.679
 CID3   Fr= 1--      34.311                -12.743                 -5.041
 RC180  Fr= 1--      -0.704                  0.714                 -0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.05   0.14    -0.08  -0.18   0.13    -0.12   0.05   0.07
     2   8    -0.09   0.05  -0.15    -0.10  -0.08  -0.26     0.08   0.11   0.09
     3   8     0.01  -0.07  -0.12     0.12  -0.10  -0.01    -0.07   0.05  -0.08
     4   6    -0.07   0.02   0.25    -0.03   0.13   0.16    -0.02  -0.16   0.04
     5   6     0.07  -0.02   0.25    -0.03   0.13  -0.16     0.02   0.16   0.04
     6   6     0.12   0.05   0.14    -0.08  -0.18  -0.13     0.12  -0.05   0.07
     7   8     0.09  -0.05  -0.15    -0.10  -0.08   0.26    -0.08  -0.11   0.09
     8   8    -0.03   0.05  -0.02     0.05   0.21   0.07     0.11  -0.28  -0.08
     9   8     0.03  -0.05  -0.02     0.05   0.21  -0.07    -0.11   0.28  -0.08
    10   8    -0.01   0.07  -0.12     0.12  -0.10   0.01     0.07  -0.05  -0.08
    11   1    -0.06   0.20   0.33     0.18   0.28   0.33     0.15  -0.25   0.08
    12   1     0.06  -0.20   0.33     0.18   0.28  -0.33    -0.15   0.25   0.08
    13   1     0.28   0.08  -0.12    -0.00  -0.12  -0.02     0.12  -0.05  -0.07
    14   1    -0.28  -0.08  -0.12    -0.00  -0.12   0.02    -0.12   0.05  -0.07
    15   1    -0.12  -0.10  -0.25     0.09   0.06  -0.01     0.16  -0.40  -0.12
    16   1     0.12   0.10  -0.25     0.09   0.06   0.01    -0.16   0.40  -0.12
                     13                     14                     15
                      A                      A                      A
 Frequencies --    616.0253               674.3790               684.6102
 Red. masses --      3.7552                 1.1527                 1.1051
 Frc consts  --      0.8396                 0.3089                 0.3052
 IR Inten    --      4.0828                 4.1135               182.2890
 RamAct Fr= 1--      1.1939                 0.5939                 0.1985
  Dep-P Fr= 1--      0.7500                 0.6404                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7808                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0012                 0.0000
 Beta2  Fr= 1--      0.1706                 0.0773                 0.0284
 AlphaG Fr= 1--      0.0000                 0.0256                 0.0000
 Gamma2 Fr= 1--      1.3835                -0.4677                -0.0857
 Delta2 Fr= 1--      0.4909                -0.0175                 0.0965
 Raman1 Fr= 1--       4.776                  2.376                  0.794
 ROA1   Fr= 1--     148.521                -45.465                 -5.142
 CID1   Fr= 1--      31.099                -19.138                 -6.478
 Raman2 Fr= 1--       2.047                  0.927                  0.340
 ROA2   Fr= 1--      29.276                -11.086                 -2.829
 CID2   Fr= 1--      14.304                -11.953                 -8.315
 Raman3 Fr= 1--       4.093                  1.855                  0.680
 ROA3   Fr= 1--     148.521                -45.465                 -5.142
 CID3   Fr= 1--      36.283                -24.512                 -7.558
 RC180  Fr= 1--       0.714                  0.562                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.07   0.10     0.00   0.01  -0.00    -0.01   0.01   0.02
     2   8    -0.07   0.12  -0.04    -0.00   0.01  -0.03    -0.01   0.02  -0.00
     3   8    -0.02  -0.07  -0.10    -0.03  -0.03   0.01    -0.02  -0.02   0.00
     4   6     0.19  -0.01   0.08    -0.01  -0.01   0.04     0.01  -0.01   0.02
     5   6     0.19  -0.01  -0.08     0.01   0.01   0.04     0.01  -0.01  -0.02
     6   6    -0.01   0.07  -0.10    -0.00  -0.01  -0.00    -0.01   0.01  -0.02
     7   8    -0.07   0.12   0.04     0.00  -0.01  -0.03    -0.01   0.02   0.00
     8   8    -0.03  -0.10  -0.06    -0.02  -0.00  -0.02    -0.01  -0.01  -0.03
     9   8    -0.03  -0.10   0.06     0.02   0.00  -0.02    -0.01  -0.01   0.03
    10   8    -0.02  -0.07   0.10     0.03   0.03   0.01    -0.02  -0.02  -0.00
    11   1     0.37  -0.01   0.17    -0.05  -0.01   0.02     0.05  -0.03   0.02
    12   1     0.37  -0.01  -0.17     0.04   0.01   0.02     0.05  -0.03  -0.02
    13   1    -0.37  -0.06   0.13    -0.32  -0.13  -0.33     0.30   0.13   0.33
    14   1    -0.37  -0.06  -0.13     0.31   0.13  -0.33     0.31   0.14  -0.34
    15   1    -0.18  -0.03  -0.19     0.29   0.04   0.42     0.29   0.07   0.43
    16   1    -0.18  -0.03   0.19    -0.30  -0.04   0.42     0.28   0.07  -0.43
                     16                     17                     18
                      A                      A                      A
 Frequencies --    731.6679               806.7160               816.6370
 Red. masses --      6.9600                 6.1376                 5.2323
 Frc consts  --      2.1953                 2.3534                 2.0559
 IR Inten    --      0.2850                 5.7443                 1.0486
 RamAct Fr= 1--      3.4938                 1.9223                 7.9190
  Dep-P Fr= 1--      0.0444                 0.7500                 0.0347
  Dep-U Fr= 1--      0.0851                 0.8571                 0.0671
 Alpha2 Fr= 1--      0.0699                 0.0000                 0.1622
 Beta2  Fr= 1--      0.0495                 0.2746                 0.0886
 AlphaG Fr= 1--     -0.0018                 0.0000                 0.1105
 Gamma2 Fr= 1--      0.8569                -1.1121                 0.2245
 Delta2 Fr= 1--     -0.1006                -0.6871                -0.0542
 Raman1 Fr= 1--      13.975                  7.689                 31.676
 ROA1   Fr= 1--      79.040               -128.751                 19.814
 CID1   Fr= 1--       5.656                -16.745                  0.626
 Raman2 Fr= 1--       0.595                  3.295                  1.063
 ROA2   Fr= 1--      21.369                -21.194                  5.820
 CID2   Fr= 1--      35.939                 -6.432                  5.475
 Raman3 Fr= 1--       1.189                  6.591                  2.126
 ROA3   Fr= 1--      79.040               -128.751                 19.814
 CID3   Fr= 1--      66.466                -19.536                  9.319
 RC180  Fr= 1--      -0.830                  0.714                 -0.866
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.32   0.20  -0.07     0.22   0.14   0.04    -0.08   0.00   0.24
     2   8    -0.18   0.11   0.02    -0.14   0.12  -0.01    -0.03   0.13  -0.06
     3   8     0.04  -0.15   0.04     0.13  -0.17   0.11     0.14  -0.11   0.04
     4   6     0.07  -0.01   0.08    -0.19  -0.03   0.00     0.09   0.02  -0.23
     5   6    -0.07   0.01   0.08    -0.19  -0.03  -0.00    -0.09  -0.02  -0.23
     6   6    -0.32  -0.20  -0.07     0.22   0.14  -0.04     0.08  -0.00   0.24
     7   8     0.18  -0.11   0.02    -0.14   0.12   0.01     0.03  -0.13  -0.06
     8   8    -0.01  -0.11  -0.05     0.02  -0.02  -0.01    -0.01  -0.02   0.02
     9   8     0.01   0.11  -0.05     0.02  -0.02   0.01     0.01   0.02   0.02
    10   8    -0.04   0.15   0.04     0.13  -0.17  -0.11    -0.14   0.11   0.04
    11   1    -0.20  -0.12  -0.10    -0.43  -0.07  -0.12     0.47  -0.04  -0.07
    12   1     0.20   0.12  -0.10    -0.43  -0.07   0.12    -0.47   0.04  -0.07
    13   1     0.37   0.09  -0.12    -0.17  -0.06   0.15     0.01  -0.01  -0.22
    14   1    -0.37  -0.09  -0.12    -0.17  -0.06  -0.15    -0.01   0.01  -0.22
    15   1    -0.11  -0.08  -0.15     0.08  -0.17  -0.06    -0.05   0.18   0.13
    16   1     0.11   0.08  -0.15     0.08  -0.17   0.06     0.05  -0.18   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    825.3659               832.5993               951.4980
 Red. masses --      1.0668                 1.0520                 5.9019
 Frc consts  --      0.4282                 0.4297                 3.1482
 IR Inten    --      5.9392               145.2044                44.2832
 RamAct Fr= 1--      0.4125                 0.0666                 0.3265
  Dep-P Fr= 1--      0.7500                 0.1067                 0.7500
  Dep-U Fr= 1--      0.8571                 0.1928                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0000
 Beta2  Fr= 1--      0.0589                 0.0021                 0.0466
 AlphaG Fr= 1--     -0.0000                -0.0146                -0.0000
 Gamma2 Fr= 1--      0.2233                 0.0503                 0.4448
 Delta2 Fr= 1--     -0.0450                 0.0307                 0.0232
 Raman1 Fr= 1--       1.650                  0.266                  1.306
 ROA1   Fr= 1--      19.995                  5.807                 43.448
 CID1   Fr= 1--      12.117                 21.810                 33.266
 Raman2 Fr= 1--       0.707                  0.026                  0.560
 ROA2   Fr= 1--       5.719                  0.961                 10.490
 CID2   Fr= 1--       8.086                 37.424                 18.741
 Raman3 Fr= 1--       1.414                  0.051                  1.120
 ROA3   Fr= 1--      19.995                  5.807                 43.448
 CID3   Fr= 1--      14.136                113.108                 38.810
 RC180  Fr= 1--       0.714                 -0.614                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.19  -0.05   0.21
     2   8     0.01   0.01  -0.01    -0.00  -0.00  -0.00     0.01   0.08  -0.03
     3   8    -0.02  -0.01   0.02     0.02   0.01  -0.02     0.10  -0.04   0.02
     4   6     0.00   0.00   0.01     0.00   0.00   0.00     0.04   0.00  -0.33
     5   6     0.00   0.00  -0.01    -0.00  -0.00   0.00     0.04   0.00   0.33
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.19  -0.05  -0.21
     7   8     0.01   0.01   0.01     0.00   0.00  -0.00     0.01   0.08   0.03
     8   8     0.00  -0.00   0.03    -0.00   0.00  -0.03     0.01  -0.02   0.03
     9   8     0.00  -0.00  -0.03     0.00  -0.00  -0.03     0.01  -0.02  -0.03
    10   8    -0.02  -0.01  -0.02    -0.02  -0.01  -0.02     0.10  -0.04  -0.02
    11   1    -0.00   0.02   0.01     0.02   0.00   0.01    -0.18   0.06  -0.40
    12   1    -0.00   0.02  -0.01    -0.02  -0.00   0.01    -0.18   0.06   0.40
    13   1     0.37   0.16   0.34     0.36   0.16   0.33    -0.01  -0.00   0.07
    14   1     0.36   0.15  -0.34    -0.36  -0.16   0.34    -0.01  -0.00  -0.07
    15   1    -0.27  -0.08  -0.38     0.27   0.07   0.39    -0.16   0.24   0.04
    16   1    -0.27  -0.08   0.39    -0.27  -0.07   0.39    -0.16   0.24  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1061.4013              1099.3324              1116.3428
 Red. masses --      3.2926                 7.1915                 2.6612
 Frc consts  --      2.1855                 5.1207                 1.9540
 IR Inten    --     15.4596               148.7553                 1.3768
 RamAct Fr= 1--      2.2736                 0.0174                 3.2928
  Dep-P Fr= 1--      0.6865                 0.7500                 0.5911
  Dep-U Fr= 1--      0.8141                 0.8571                 0.7430
 Alpha2 Fr= 1--      0.0025                 0.0000                 0.0097
 Beta2  Fr= 1--      0.3085                 0.0025                 0.4078
 AlphaG Fr= 1--      0.0137                 0.0000                -0.0010
 Gamma2 Fr= 1--     -0.0172                 0.0349                 0.0796
 Delta2 Fr= 1--      0.3211                 0.0435                 0.8260
 Raman1 Fr= 1--       9.094                  0.070                 13.171
 ROA1   Fr= 1--       8.625                  4.740                 34.076
 CID1   Fr= 1--       0.948                 67.920                  2.587
 Raman2 Fr= 1--       3.702                  0.030                  4.893
 ROA2   Fr= 1--      -2.981                  0.489                 -4.697
 CID2   Fr= 1--      -0.805                 16.341                 -0.960
 Raman3 Fr= 1--       7.404                  0.060                  9.786
 ROA3   Fr= 1--       8.625                  4.740                 34.076
 CID3   Fr= 1--       1.165                 79.241                  3.482
 RC180  Fr= 1--       0.628                  0.714                  0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.02     0.03  -0.03   0.01    -0.02  -0.02   0.03
     2   8     0.02  -0.05  -0.01     0.01  -0.05  -0.02     0.00  -0.01  -0.01
     3   8    -0.07   0.06  -0.05    -0.00   0.04   0.01     0.02   0.01   0.02
     4   6     0.25   0.10   0.06    -0.10   0.39   0.01    -0.09   0.19  -0.04
     5   6    -0.25  -0.10   0.06    -0.10   0.39  -0.01     0.09  -0.19  -0.04
     6   6    -0.05   0.03   0.02     0.03  -0.03  -0.01     0.02   0.02   0.03
     7   8    -0.02   0.05  -0.01     0.01  -0.05   0.02    -0.00   0.01  -0.01
     8   8    -0.01  -0.07  -0.02     0.05  -0.28   0.00     0.02  -0.14   0.01
     9   8     0.01   0.07  -0.02     0.06  -0.29  -0.00    -0.02   0.13   0.01
    10   8     0.07  -0.06  -0.05    -0.00   0.04  -0.01    -0.02  -0.01   0.02
    11   1     0.36   0.27   0.20    -0.04   0.44   0.07    -0.51   0.36  -0.15
    12   1    -0.36  -0.27   0.20    -0.04   0.44  -0.07     0.51  -0.36  -0.15
    13   1     0.02  -0.06  -0.06    -0.07   0.07   0.10     0.02  -0.02  -0.02
    14   1    -0.02   0.06  -0.06    -0.07   0.07  -0.10    -0.02   0.02  -0.02
    15   1    -0.20   0.32   0.08    -0.05   0.07   0.17    -0.07   0.09   0.09
    16   1     0.20  -0.32   0.08    -0.05   0.07  -0.17     0.07  -0.09   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1229.7973              1234.4758              1263.7074
 Red. masses --      2.1232                 1.9832                 1.5577
 Frc consts  --      1.8919                 1.7807                 1.4656
 IR Inten    --     16.9145                 0.5649                 0.0004
 RamAct Fr= 1--      0.8637                14.3053                 2.3753
  Dep-P Fr= 1--      0.7500                 0.2335                 0.7445
  Dep-U Fr= 1--      0.8571                 0.3785                 0.8536
 Alpha2 Fr= 1--      0.0000                 0.1775                 0.0002
 Beta2  Fr= 1--      0.1234                 0.9025                 0.3379
 AlphaG Fr= 1--     -0.0000                -0.0369                 0.0041
 Gamma2 Fr= 1--     -0.7697                 4.6348                -0.0334
 Delta2 Fr= 1--     -1.4633                 2.7718                -1.5492
 Raman1 Fr= 1--       3.455                 57.221                  9.501
 ROA1   Fr= 1--    -120.712                533.639                -52.780
 CID1   Fr= 1--     -34.940                  9.326                 -5.555
 Raman2 Fr= 1--       1.481                 10.830                  4.055
 ROA2   Fr= 1--      -6.766                 89.062                 11.592
 CID2   Fr= 1--      -4.569                  8.224                  2.859
 Raman3 Fr= 1--       2.961                 21.660                  8.110
 ROA3   Fr= 1--    -120.712                533.639                -52.780
 CID3   Fr= 1--     -40.764                 24.637                 -6.508
 RC180  Fr= 1--       0.714                 -0.243                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.03  -0.13     0.11  -0.02   0.09    -0.01  -0.03   0.06
     2   8    -0.01   0.07   0.03     0.01  -0.07  -0.02     0.01   0.01  -0.00
     3   8     0.04  -0.08   0.01    -0.03   0.07   0.01    -0.01   0.02  -0.02
     4   6     0.00   0.02   0.02    -0.07   0.01  -0.03     0.10  -0.09  -0.00
     5   6     0.00   0.02  -0.02     0.07  -0.01  -0.03    -0.10   0.09  -0.00
     6   6    -0.11   0.03   0.13    -0.11   0.02   0.09     0.01   0.03   0.06
     7   8    -0.01   0.07  -0.03    -0.01   0.07  -0.02    -0.01  -0.01  -0.00
     8   8     0.02  -0.02  -0.00    -0.00   0.01  -0.00     0.00   0.03  -0.01
     9   8     0.02  -0.02   0.00     0.00  -0.01  -0.00    -0.00  -0.03  -0.01
    10   8     0.04  -0.08  -0.01     0.03  -0.07   0.01     0.01  -0.02  -0.02
    11   1     0.09   0.13   0.11     0.14  -0.15  -0.00    -0.58  -0.04  -0.29
    12   1     0.09   0.13  -0.11    -0.14   0.15  -0.00     0.58   0.04  -0.29
    13   1     0.44  -0.23  -0.38     0.44  -0.23  -0.39     0.11  -0.04  -0.07
    14   1     0.44  -0.23   0.38    -0.44   0.23  -0.39    -0.11   0.04  -0.07
    15   1    -0.07   0.13   0.02     0.07  -0.09   0.00    -0.07   0.15   0.03
    16   1    -0.07   0.13  -0.02    -0.07   0.09   0.00     0.07  -0.15   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1276.7484              1331.8815              1350.0539
 Red. masses --      1.1639                 1.4539                 1.3906
 Frc consts  --      1.1178                 1.5196                 1.4933
 IR Inten    --     35.6060                 0.0000               272.4235
 RamAct Fr= 1--      1.9915                 3.5141                 0.1563
  Dep-P Fr= 1--      0.7500                 0.7385                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8496                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0000
 Beta2  Fr= 1--      0.2845                 0.4976                 0.0223
 AlphaG Fr= 1--     -0.0000                -0.0036                 0.0000
 Gamma2 Fr= 1--      1.3835                 0.2834                -0.2476
 Delta2 Fr= 1--      0.8062                 0.8238                -0.0445
 Raman1 Fr= 1--       7.966                 14.056                  0.625
 ROA1   Fr= 1--     158.611                 53.565                -25.194
 CID1   Fr= 1--      19.911                  3.811                -40.297
 Raman2 Fr= 1--       3.414                  5.971                  0.268
 ROA2   Fr= 1--      26.754                  0.211                 -5.587
 CID2   Fr= 1--       7.837                  0.035                -20.850
 Raman3 Fr= 1--       6.828                 11.942                  0.536
 ROA3   Fr= 1--     158.611                 53.565                -25.194
 CID3   Fr= 1--      23.230                  4.485                -47.013
 RC180  Fr= 1--       0.714                  0.699                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.01     0.03  -0.00  -0.01    -0.03   0.02  -0.06
     2   8    -0.00  -0.01  -0.00    -0.00   0.01   0.01     0.01  -0.01   0.01
     3   8    -0.01   0.01  -0.01    -0.00   0.00   0.00     0.04  -0.00   0.04
     4   6     0.03  -0.07   0.02    -0.06  -0.12  -0.04    -0.05  -0.04  -0.05
     5   6     0.03  -0.07  -0.02     0.06   0.12  -0.04    -0.05  -0.04   0.05
     6   6     0.02   0.01  -0.01    -0.03   0.00  -0.01    -0.03   0.02   0.06
     7   8    -0.00  -0.01   0.00     0.00  -0.01   0.01     0.01  -0.01  -0.01
     8   8     0.01  -0.01   0.00     0.02  -0.00   0.00     0.01   0.00   0.00
     9   8     0.01  -0.01  -0.00    -0.02   0.00   0.00     0.01   0.00  -0.00
    10   8    -0.01   0.01   0.01     0.00  -0.00   0.00     0.04  -0.00  -0.04
    11   1    -0.33   0.51   0.12     0.00   0.55   0.29     0.45   0.18   0.28
    12   1    -0.33   0.51  -0.12    -0.00  -0.55   0.29     0.45   0.18  -0.28
    13   1    -0.03   0.02   0.02     0.06  -0.03  -0.06    -0.28   0.13   0.25
    14   1    -0.03   0.02  -0.02    -0.06   0.03  -0.06    -0.28   0.13  -0.25
    15   1    -0.14   0.29   0.08    -0.13   0.26   0.07    -0.04   0.08   0.02
    16   1    -0.14   0.29  -0.08     0.13  -0.26   0.07    -0.04   0.08  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1395.0249              1400.8768              1464.7035
 Red. masses --      1.9049                 2.2973                 1.2431
 Frc consts  --      2.1841                 2.6562                 1.5713
 IR Inten    --    575.6193               231.6057                63.2067
 RamAct Fr= 1--      0.1730                 1.1138                 4.3763
  Dep-P Fr= 1--      0.7500                 0.6542                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7910                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.0000
 Beta2  Fr= 1--      0.0247                 0.1468                 0.6252
 AlphaG Fr= 1--      0.0000                 0.0105                -0.0000
 Gamma2 Fr= 1--     -0.0014                -1.4943                -3.1698
 Delta2 Fr= 1--     -0.0629                -0.1664                -1.1793
 Raman1 Fr= 1--       0.692                  4.455                 17.505
 ROA1   Fr= 1--      -2.143               -148.780               -342.036
 CID1   Fr= 1--      -3.097                -33.396                -19.539
 Raman2 Fr= 1--       0.297                  1.762                  7.502
 ROA2   Fr= 1--       0.470                -34.533                -66.640
 CID2   Fr= 1--       1.587                -19.600                 -8.883
 Raman3 Fr= 1--       0.593                  3.524                 15.004
 ROA3   Fr= 1--      -2.143               -148.780               -342.036
 CID3   Fr= 1--      -3.613                -42.222                -22.796
 RC180  Fr= 1--       0.714                  0.582                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.07    -0.13   0.04  -0.12     0.04   0.00   0.04
     2   8    -0.02   0.03  -0.00     0.02  -0.03   0.01    -0.01  -0.01  -0.01
     3   8    -0.06   0.01  -0.05     0.08  -0.01   0.08    -0.02   0.01  -0.02
     4   6    -0.05  -0.02  -0.09     0.07   0.00   0.03    -0.06  -0.01   0.01
     5   6    -0.05  -0.02   0.09    -0.07  -0.00   0.03    -0.06  -0.01  -0.01
     6   6     0.11  -0.02  -0.07     0.13  -0.04  -0.12     0.04   0.00  -0.03
     7   8    -0.02   0.03   0.00    -0.02   0.03   0.01    -0.01  -0.01   0.01
     8   8    -0.01   0.00   0.02    -0.02  -0.00   0.01     0.04  -0.00  -0.03
     9   8    -0.01   0.00  -0.02     0.02   0.00   0.00     0.04  -0.00   0.03
    10   8    -0.06   0.01   0.05    -0.08   0.01   0.08    -0.02   0.01   0.02
    11   1     0.33   0.28   0.22    -0.02   0.13   0.04     0.16  -0.30  -0.01
    12   1     0.33   0.28  -0.22     0.02  -0.13   0.04     0.17  -0.31   0.01
    13   1     0.30  -0.13  -0.27     0.45  -0.20  -0.40     0.08  -0.03  -0.06
    14   1     0.30  -0.13   0.27    -0.45   0.20  -0.40     0.08  -0.03   0.06
    15   1     0.11  -0.20  -0.01     0.05  -0.14  -0.03    -0.26   0.53   0.05
    16   1     0.11  -0.20   0.01    -0.05   0.14  -0.03    -0.27   0.54  -0.05
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1467.7897              1796.1372              1806.3201
 Red. masses --      1.2471                 8.9196                 8.8299
 Frc consts  --      1.5830                16.9542                16.9744
 IR Inten    --      0.1891                29.7083               422.7918
 RamAct Fr= 1--      2.8846                21.9973                 1.4338
  Dep-P Fr= 1--      0.5443                 0.1179                 0.7500
  Dep-U Fr= 1--      0.7049                 0.2110                 0.8571
 Alpha2 Fr= 1--      0.0114                 0.3685                 0.0000
 Beta2  Fr= 1--      0.3389                 0.7734                 0.2048
 AlphaG Fr= 1--     -0.0073                -0.2824                -0.0000
 Gamma2 Fr= 1--     -0.6925                -3.5300                 2.0548
 Delta2 Fr= 1--      0.5203                -2.4182                 2.6401
 Raman1 Fr= 1--      11.538                 87.989                  5.735
 ROA1   Fr= 1--     -49.831               -416.259                281.747
 CID1   Fr= 1--      -4.319                 -4.731                 49.127
 Raman2 Fr= 1--       4.067                  9.281                  2.458
 ROA2   Fr= 1--     -20.783                -65.374                 28.195
 CID2   Fr= 1--      -5.111                 -7.044                 11.471
 Raman3 Fr= 1--       8.133                 18.562                  4.916
 ROA3   Fr= 1--     -49.831               -416.259                281.747
 CID3   Fr= 1--      -6.127                -22.425                 57.315
 RC180  Fr= 1--       0.410                 -0.578                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.03     0.09  -0.46  -0.14    -0.10   0.46   0.13
     2   8     0.01   0.01   0.01    -0.05   0.27   0.09     0.05  -0.27  -0.09
     3   8     0.02  -0.00   0.02     0.00   0.04   0.02     0.00  -0.05  -0.02
     4   6    -0.05   0.01   0.04     0.00   0.05   0.01    -0.00  -0.00  -0.03
     5   6     0.05  -0.01   0.04    -0.00  -0.05   0.01    -0.00  -0.00   0.03
     6   6     0.03   0.00  -0.03    -0.09   0.46  -0.14    -0.10   0.46  -0.13
     7   8    -0.01  -0.01   0.01     0.05  -0.27   0.09     0.05  -0.27   0.09
     8   8     0.04  -0.01  -0.03    -0.00   0.01   0.00    -0.00  -0.01   0.00
     9   8    -0.04   0.01  -0.03     0.00  -0.01   0.00    -0.00  -0.01  -0.00
    10   8    -0.02   0.00   0.02    -0.00  -0.04   0.02     0.00  -0.05   0.02
    11   1     0.08  -0.34  -0.05     0.06  -0.05  -0.02     0.07   0.04   0.02
    12   1    -0.08   0.34  -0.05    -0.06   0.05  -0.02     0.07   0.04  -0.02
    13   1     0.06  -0.03  -0.06     0.24  -0.09  -0.24     0.27  -0.10  -0.23
    14   1    -0.06   0.02  -0.06    -0.24   0.09  -0.24     0.27  -0.10   0.23
    15   1    -0.26   0.54   0.07     0.05  -0.21   0.01     0.03  -0.18  -0.02
    16   1     0.26  -0.53   0.06    -0.05   0.21   0.01     0.03  -0.18   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3048.6905              3056.0142              3493.6054
 Red. masses --      1.0833                 1.0845                 1.0667
 Frc consts  --      5.9325                 5.9677                 7.6709
 IR Inten    --     17.9182                 2.3303                95.0628
 RamAct Fr= 1--     43.1907               151.9651                92.1548
  Dep-P Fr= 1--      0.7500                 0.0987                 0.0411
  Dep-U Fr= 1--      0.8571                 0.1796                 0.0789
 Alpha2 Fr= 1--      0.0000                 2.6692                 1.8594
 Beta2  Fr= 1--      6.1701                 4.5500                 1.2119
 AlphaG Fr= 1--     -0.0000                -0.2910                 0.9803
 Gamma2 Fr= 1--      4.5714                -8.5604                37.1762
 Delta2 Fr= 1--      6.3886                -6.2669                10.0192
 Raman1 Fr= 1--     172.763                607.860                368.619
 ROA1   Fr= 1--     643.287              -1022.341               3889.527
 CID1   Fr= 1--       3.724                 -1.682                 10.552
 Raman2 Fr= 1--      74.041                 54.600                 14.543
 ROA2   Fr= 1--      58.604               -155.315                812.075
 CID2   Fr= 1--       0.792                 -2.845                 55.839
 Raman3 Fr= 1--     148.082                109.201                 29.086
 ROA3   Fr= 1--     643.287              -1022.341               3889.527
 CID3   Fr= 1--       4.344                 -9.362                133.724
 RC180  Fr= 1--       0.714                 -0.641                 -0.842
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
     2   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
     4   6     0.02   0.02  -0.05     0.02   0.02  -0.05    -0.00  -0.00   0.00
     5   6     0.02   0.02   0.05    -0.02  -0.02  -0.05     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03  -0.02   0.02
     9   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03   0.02   0.02
    10   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    11   1    -0.27  -0.27   0.59    -0.27  -0.27   0.59     0.01   0.01  -0.01
    12   1    -0.27  -0.27  -0.59     0.27   0.27   0.59    -0.01  -0.01  -0.01
    13   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.13   0.05
    14   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.13   0.05
    15   1     0.02   0.00  -0.01     0.01   0.00  -0.02     0.48   0.34  -0.37
    16   1     0.02   0.00   0.01    -0.01  -0.01  -0.02    -0.47  -0.33  -0.37
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3503.5680              3578.6925              3580.9456
 Red. masses --      1.0673                 1.0641                 1.0642
 Frc consts  --      7.7190                 8.0292                 8.0404
 IR Inten    --    494.0138               228.0157                86.2749
 RamAct Fr= 1--     12.7658                 6.3641                45.2112
  Dep-P Fr= 1--      0.7495                 0.7498                 0.0906
  Dep-U Fr= 1--      0.8568                 0.8570                 0.1661
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.8100
 Beta2  Fr= 1--      1.8230                 0.9090                 1.2515
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0473
 Gamma2 Fr= 1--    -29.5608                 3.7547                -0.0281
 Delta2 Fr= 1--     -6.5957                 1.9095                -3.6725
 Raman1 Fr= 1--      51.063                 25.456                180.845
 ROA1   Fr= 1--   -3048.903                421.557               -120.217
 CID1   Fr= 1--     -59.709                 16.560                 -0.665
 Raman2 Fr= 1--      21.876                 10.908                 15.018
 ROA2   Fr= 1--    -656.695                 74.838                 28.705
 CID2   Fr= 1--     -30.019                  6.861                  1.911
 Raman3 Fr= 1--      43.752                 21.817                 30.035
 ROA3   Fr= 1--   -3048.903                421.557               -120.217
 CID3   Fr= 1--     -69.685                 19.323                 -4.003
 RC180  Fr= 1--       0.714                  0.714                 -0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   8     0.00  -0.00  -0.00    -0.00  -0.04  -0.02     0.00   0.04   0.02
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   8    -0.03  -0.02   0.02     0.00   0.00  -0.00    -0.01  -0.00   0.00
     9   8    -0.03  -0.02  -0.02     0.00   0.00   0.00     0.01   0.00   0.00
    10   8     0.00  -0.00   0.00    -0.00  -0.04   0.02    -0.00  -0.04   0.02
    11   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1     0.01   0.01   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00   0.05  -0.02    -0.01   0.64  -0.28    -0.01   0.64  -0.28
    14   1    -0.00   0.05   0.02    -0.01   0.65   0.28     0.01  -0.63  -0.28
    15   1     0.49   0.33  -0.37    -0.04  -0.03   0.03     0.10   0.07  -0.08
    16   1     0.49   0.34   0.38    -0.04  -0.02  -0.03    -0.10  -0.07  -0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   987.111891545.354791868.90457
           X            0.99932  -0.03687  -0.00000
           Y            0.03687   0.99932  -0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.08774     0.05605     0.04634
 Rotational constants (GHZ):           1.82830     1.16785     0.96567
 Zero-point vibrational energy     307027.7 (Joules/Mol)
                                   73.38139 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     86.54   115.52   141.76   339.09   371.26
          (Kelvin)            450.55   455.83   552.10   627.36   753.84
                              777.42   847.05   886.32   970.28   985.00
                             1052.71  1160.68  1174.96  1187.52  1197.92
                             1368.99  1527.12  1581.69  1606.17  1769.40
                             1776.14  1818.19  1836.96  1916.28  1942.43
                             2007.13  2015.55  2107.38  2111.82  2584.24
                             2598.89  4386.39  4396.92  5026.52  5040.85
                             5148.94  5152.18
 
 Zero-point correction=                           0.116941 (Hartree/Particle)
 Thermal correction to Energy=                    0.126064
 Thermal correction to Enthalpy=                  0.127008
 Thermal correction to Gibbs Free Energy=         0.082088
 Sum of electronic and zero-point Energies=           -607.578178
 Sum of electronic and thermal Energies=              -607.569055
 Sum of electronic and thermal Enthalpies=            -607.568111
 Sum of electronic and thermal Free Energies=         -607.613031
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   79.106             33.643             94.542
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.435
 Vibrational             77.329             27.681             24.180
 Vibration     1          0.597              1.973              4.452
 Vibration     2          0.600              1.963              3.884
 Vibration     3          0.604              1.950              3.483
 Vibration     4          0.655              1.786              1.835
 Vibration     5          0.667              1.749              1.675
 Vibration     6          0.701              1.649              1.346
 Vibration     7          0.704              1.641              1.326
 Vibration     8          0.753              1.505              1.024
 Vibration     9          0.796              1.392              0.839
 Vibration    10          0.879              1.197              0.601
 Vibration    11          0.895              1.161              0.565
 Vibration    12          0.946              1.056              0.469
 Vibration    13          0.976              0.998              0.423
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.174628D-37        -37.757887        -86.940748
 Total V=0       0.107411D+17         16.031048         36.912853
 Vib (Bot)       0.400050D-51        -51.397886       -118.348005
 Vib (Bot)    1  0.343317D+01          0.535695          1.233483
 Vib (Bot)    2  0.256496D+01          0.409081          0.941944
 Vib (Bot)    3  0.208355D+01          0.318804          0.734072
 Vib (Bot)    4  0.833602D+00         -0.079041         -0.181999
 Vib (Bot)    5  0.753453D+00         -0.122944         -0.283089
 Vib (Bot)    6  0.602732D+00         -0.219875         -0.506282
 Vib (Bot)    7  0.594463D+00         -0.225875         -0.520097
 Vib (Bot)    8  0.469953D+00         -0.327946         -0.755123
 Vib (Bot)    9  0.397704D+00         -0.400440         -0.922046
 Vib (Bot)   10  0.306955D+00         -0.512925         -1.181054
 Vib (Bot)   11  0.293124D+00         -0.532948         -1.227158
 Vib (Bot)   12  0.256568D+00         -0.590798         -1.360362
 Vib (Bot)   13  0.238389D+00         -0.622714         -1.433853
 Vib (V=0)       0.246065D+03          2.391050          5.505596
 Vib (V=0)    1  0.396938D+01          0.598723          1.378611
 Vib (V=0)    2  0.311324D+01          0.493213          1.135665
 Vib (V=0)    3  0.264270D+01          0.422048          0.971802
 Vib (V=0)    4  0.147206D+01          0.167924          0.386660
 Vib (V=0)    5  0.140426D+01          0.147448          0.339512
 Vib (V=0)    6  0.128313D+01          0.108269          0.249299
 Vib (V=0)    7  0.127678D+01          0.106116          0.244341
 Vib (V=0)    8  0.118619D+01          0.074154          0.170746
 Vib (V=0)    9  0.113888D+01          0.056478          0.130046
 Vib (V=0)   10  0.108670D+01          0.036111          0.083149
 Vib (V=0)   11  0.107959D+01          0.033258          0.076579
 Vib (V=0)   12  0.106198D+01          0.026118          0.060140
 Vib (V=0)   13  0.105392D+01          0.022808          0.052518
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.604417D+06          5.781336         13.312019
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     33 33             33                                           11          1111111111   111                                     
     55 54             00                                           87          4443332222   100   9 8888  766 6555  4 333 22        
     87 09             54                                           09          6609537633   196   5 3210  387 1842  3 811 53   986  
     19 44             69                                           66          8515027440   691   1 3577  254 6904  6 473 86   900  
 
     XX XX             XX                                           XX          XXXXX X XX   XXX   X XXXX  XXX XXXX  X XXX XX   XXX  
     XX XX                                                          X            XXXX         X    X X      X              X         
     XX XX                                                          X             XXX         X      X      X                        
      X X                                                           X             XXX         X      X      X                        
      X X                                                           X             XXX         X      X      X                        
      X X                                                           X             XXX                       X                        
      X X                                                           X             XXX                                                
      X X                                                           X             XXX                                                
        X                                                           X              XX                                                
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                                          X                                                 
        X                                                                          X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000011927    0.000008036   -0.000000449
      2        8           0.000000843   -0.000010721    0.000004190
      3        8          -0.000000785   -0.000000837    0.000001173
      4        6          -0.000003677   -0.000003648   -0.000004793
      5        6          -0.000006845   -0.000016616    0.000005352
      6        6           0.000004306    0.000000083   -0.000001205
      7        8          -0.000005931    0.000008061   -0.000000754
      8        8           0.000003501    0.000000616    0.000003380
      9        8          -0.000004346    0.000000887    0.000006984
     10        8           0.000000503    0.000000039   -0.000002243
     11        1          -0.000001790   -0.000003411   -0.000002441
     12        1           0.000004758    0.000007190   -0.000004825
     13        1           0.000000702    0.000002931    0.000000283
     14        1          -0.000002836   -0.000002321   -0.000001089
     15        1          -0.000001578    0.000004136    0.000000919
     16        1           0.000001250    0.000005574   -0.000004482
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016616 RMS     0.000004954
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.722847D+02 -0.576883D+01 -0.230082D-03
      2  -0.576883D+01  0.766781D+02  0.245657D-03
      3  -0.230082D-03  0.245657D-03  0.617730D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.785563D+01  0.501839D+01  0.431963D-04
      2  -0.247381D+02 -0.927575D+01 -0.706305D-03
      3   0.361771D-03  0.428953D-04  0.162643D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.407196D-02  0.170321D-02 -0.383133D+02
      2   0.235215D-02 -0.406383D-03 -0.238310D+01
      3   0.171981D-02 -0.129683D-02  0.406964D+02
      4   0.241608D-03  0.132534D-02 -0.123698D+02
      5  -0.172423D+02 -0.286534D+01  0.403271D-03
      6  -0.398517D+00  0.902400D+00 -0.160056D-02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.188725D+00 -0.107785D+01  0.104694D+00  0.117013D+01 -0.135068D+01
      2  -0.107785D+01 -0.746592D+00 -0.722976D+00 -0.135068D+01  0.500814D+01
      3   0.104694D+00 -0.722976D+00 -0.885263D+00 -0.497846D-01  0.733953D+00
                 6             7             8             9            10 
      1  -0.497846D-01  0.120502D+01 -0.151543D+01 -0.431227D+00  0.158410D+01
      2   0.733953D+00 -0.151543D+01  0.140450D+01 -0.665644D+00 -0.254181D+01
      3   0.340089D+00 -0.431227D+00 -0.665644D+00 -0.235446D+00 -0.521273D+00
                11            12            13            14            15 
      1  -0.254181D+01 -0.521273D+00 -0.421870D+01  0.550976D+00 -0.955793D+00
      2  -0.147195D+00 -0.733581D-01  0.550976D+00 -0.112181D+02 -0.176342D+01
      3  -0.733581D-01  0.678204D+00 -0.955793D+00 -0.176342D+01 -0.289213D+01
                16            17            18            19            20 
      1  -0.108033D+01  0.258588D+00  0.322452D-01 -0.544638D+01  0.145768D+01
      2   0.258588D+00 -0.267243D+01 -0.289154D+01  0.145768D+01 -0.955639D+00
      3   0.322452D-01 -0.289154D+01 -0.243840D+01 -0.177854D+01  0.270807D+00
                21            22            23            24            25 
      1  -0.177854D+01 -0.559395D+00 -0.100604D+01 -0.402985D+00 -0.287948D+01
      2   0.270807D+00 -0.100604D+01 -0.124286D+01 -0.189398D+01  0.641084D+00
      3  -0.117720D+01 -0.402985D+00 -0.189398D+01 -0.501732D+00 -0.280806D+01
                26            27            28            29            30 
      1   0.641084D+00 -0.280806D+01 -0.463739D+01  0.161928D+01 -0.697519D-01
      2  -0.226222D+01  0.870485D+00  0.161928D+01  0.115848D+01  0.727748D-01
      3   0.870485D+00 -0.337893D+01 -0.697519D-01  0.727748D-01  0.261925D+01
                31            32            33            34            35 
      1   0.287303D+01  0.187446D+01 -0.516600D+00 -0.398109D+00  0.230249D+00
      2   0.187446D+01 -0.229747D+01 -0.510911D+00  0.230249D+00 -0.354434D+00
      3  -0.516600D+00 -0.510911D+00  0.370970D+01  0.245879D+01  0.211166D+01
                36            37            38            39            40 
      1   0.245879D+01  0.463797D+01 -0.161888D+01 -0.705260D-01 -0.287233D+01
      2   0.211166D+01 -0.161888D+01 -0.115848D+01  0.725468D-01 -0.187433D+01
      3  -0.243335D+01 -0.705260D-01  0.725468D-01 -0.261887D+01 -0.516673D+00
                41            42            43            44            45 
      1  -0.187433D+01 -0.516673D+00 -0.398734D+00  0.229852D+00 -0.245811D+01
      2   0.229802D+01 -0.511412D+00  0.229852D+00 -0.354960D+00 -0.211121D+01
      3  -0.511412D+00 -0.370928D+01 -0.245811D+01 -0.211121D+01 -0.243384D+01
                46            47            48            49            50 
      1   0.187889D+00  0.107763D+01  0.105037D+00 -0.117090D+01  0.135015D+01
      2   0.107763D+01  0.745893D+00 -0.722666D+00  0.135015D+01 -0.500879D+01
      3   0.105037D+00 -0.722666D+00  0.884668D+00 -0.493668D-01  0.734156D+00
                51            52            53            54            55 
      1  -0.493668D-01  0.120528D+01 -0.151499D+01  0.430641D+00 -0.158378D+01
      2   0.734156D+00 -0.151499D+01  0.140433D+01  0.665396D+00  0.254187D+01
      3  -0.340356D+00  0.430641D+00  0.665396D+00 -0.235256D+00 -0.521157D+00
                56            57            58            59            60 
      1   0.254187D+01 -0.521157D+00  0.421910D+01 -0.550560D+00 -0.956009D+00
      2   0.147702D+00 -0.734519D-01 -0.550560D+00  0.112185D+02 -0.176336D+01
      3  -0.734519D-01 -0.677988D+00 -0.956009D+00 -0.176336D+01  0.289227D+01
                61            62            63            64            65 
      1  -0.108015D+01  0.258527D+00 -0.320378D-01 -0.410754D+01  0.156221D+01
      2   0.258527D+00 -0.267208D+01  0.289142D+01  0.156221D+01 -0.204616D+01
      3  -0.320378D-01  0.289142D+01 -0.243811D+01  0.166956D+01 -0.151141D+00
                66            67            68            69            70 
      1   0.166956D+01 -0.579633D+00 -0.221277D+01  0.890143D+00  0.268062D+01
      2  -0.151141D+00 -0.221277D+01  0.597876D+01  0.173834D+01 -0.263973D-01
      3  -0.184219D+01  0.890143D+00  0.173834D+01 -0.147305D+00 -0.194371D+01
                71            72            73            74            75 
      1  -0.263973D-01 -0.194371D+01  0.410748D+01 -0.156202D+01  0.166944D+01
      2   0.202558D+01  0.154292D+01 -0.156202D+01  0.204692D+01 -0.151245D+00
      3   0.154292D+01  0.240306D+01  0.166944D+01 -0.151245D+00  0.184206D+01
                76            77            78            79            80 
      1   0.579718D+00  0.221314D+01  0.890028D+00  0.267977D+01 -0.263090D-01
      2   0.221314D+01 -0.597820D+01  0.173854D+01 -0.263090D-01  0.202573D+01
      3   0.890028D+00  0.173854D+01  0.147239D+00  0.194320D+01 -0.154299D+01
                81            82            83            84            85 
      1   0.194320D+01  0.544601D+01 -0.145771D+01 -0.177859D+01  0.559229D+00
      2  -0.154299D+01 -0.145771D+01  0.955704D+00  0.270739D+00  0.100589D+01
      3   0.240261D+01 -0.177859D+01  0.270739D+00  0.117730D+01 -0.402944D+00
                86            87            88            89            90 
      1   0.100589D+01 -0.402944D+00 -0.287936D+01  0.641047D+00  0.280800D+01
      2   0.124298D+01 -0.189396D+01  0.641047D+00 -0.226221D+01 -0.870542D+00
      3  -0.189396D+01  0.501696D+00  0.280800D+01 -0.870542D+00 -0.337920D+01
                91            92            93            94            95 
      1  -0.141973D+01 -0.852833D+00  0.192884D+01 -0.139267D+01 -0.105366D+01
      2  -0.852833D+00 -0.853323D+00  0.273999D+00 -0.105366D+01 -0.110209D+01
      3   0.192884D+01  0.273999D+00 -0.242337D+01  0.563837D+00  0.156009D+01
                96            97            98            99           100 
      1   0.563837D+00  0.223441D+01  0.442684D+00 -0.232900D+01  0.141952D+01
      2   0.156009D+01  0.442684D+00  0.158434D+01 -0.141616D+01  0.852817D+00
      3  -0.231979D+01 -0.232900D+01 -0.141616D+01  0.655389D+01  0.192885D+01
               101           102           103           104           105 
      1   0.852817D+00  0.192885D+01  0.139260D+01  0.105365D+01  0.563821D+00
      2   0.853316D+00  0.274007D+00  0.105365D+01  0.110210D+01  0.156008D+01
      3   0.274007D+00  0.242325D+01  0.563821D+00  0.156008D+01  0.231973D+01
               106           107           108           109           110 
      1   0.223444D+01  0.442730D+00  0.232883D+01  0.818121D+00 -0.793877D+00
      2   0.442730D+00  0.158445D+01  0.141614D+01 -0.793877D+00  0.624047D+00
      3   0.232883D+01  0.141614D+01  0.655382D+01  0.391704D+00  0.179132D+00
               111           112           113           114           115 
      1   0.391704D+00 -0.251712D+01  0.119597D+01  0.926093D+00  0.114466D+01
      2   0.179132D+00  0.119597D+01 -0.417357D+01  0.380199D+00 -0.523852D-02
      3  -0.162077D-02  0.926093D+00  0.380199D+00 -0.168579D+01 -0.387488D+00
               116           117           118           119           120 
      1  -0.523852D-02 -0.387488D+00 -0.817959D+00  0.793886D+00  0.391806D+00
      2   0.105461D+01 -0.839154D+00  0.793886D+00 -0.624053D+00  0.179110D+00
      3  -0.839154D+00  0.515701D+00  0.391806D+00  0.179110D+00  0.161402D-02
               121           122           123           124           125 
      1   0.251731D+01 -0.119589D+01  0.926091D+00  0.114486D+01 -0.524112D-02
      2  -0.119589D+01  0.417335D+01  0.380319D+00 -0.524112D-02  0.105468D+01
      3   0.926091D+00  0.380319D+00  0.168572D+01  0.387469D+00  0.839163D+00
               126           127           128           129           130 
      1   0.387469D+00  0.353012D+01  0.361727D+00 -0.172525D+01  0.157843D+01
      2   0.839163D+00  0.361727D+00  0.104977D+01  0.150862D+00  0.370586D+00
      3   0.515722D+00 -0.172525D+01  0.150862D+00  0.140496D+01 -0.454935D+00
               131           132           133           134           135 
      1   0.370586D+00 -0.454935D+00 -0.290698D+01 -0.255387D-01  0.115268D+01
      2   0.239133D+01 -0.244326D+00 -0.255387D-01 -0.779990D+00  0.424176D+00
      3  -0.244326D+00  0.104473D+01  0.115268D+01  0.424176D+00 -0.986451D+00
               136           137           138           139           140 
      1  -0.352969D+01 -0.362121D+00 -0.172484D+01 -0.157879D+01 -0.370894D+00
      2  -0.362121D+00 -0.105039D+01  0.150860D+00 -0.370894D+00 -0.239205D+01
      3  -0.172484D+01  0.150860D+00 -0.140479D+01 -0.454923D+00 -0.244293D+00
               141           142           143           144 
      1  -0.454923D+00 -0.290594D+01 -0.256129D-01 -0.115222D+01
      2  -0.244293D+00 -0.256129D-01 -0.779912D+00 -0.424123D+00
      3  -0.104480D+01 -0.115222D+01 -0.424123D+00 -0.985832D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.217345D+01 -0.287362D+01 -0.248211D+01 -0.407522D+01 -0.505418D+01
      2   0.983974D+01  0.561445D+01  0.617105D+01  0.630609D+01 -0.189971D+00
      3   0.321236D+01 -0.490973D+01 -0.264290D+01 -0.568403D+01  0.412161D+01
                 6             7             8             9            10 
      1   0.259189D+01  0.297415D+00  0.411649D+01  0.372635D+01  0.237610D+01
      2   0.212131D+01 -0.424089D+01  0.245903D+00 -0.938688D+01 -0.563941D+00
      3   0.268601D+01 -0.713835D+01  0.486585D+01 -0.214384D+01 -0.664538D+01
                11            12            13            14            15 
      1   0.416639D-01  0.737545D+00 -0.183346D+01  0.483476D+01 -0.968808D+01
      2  -0.215588D+01  0.529986D+00 -0.172270D+01  0.330178D+01  0.296030D+01
      3  -0.789097D+00  0.185322D+00  0.138212D+02 -0.170937D+02 -0.840220D+00
                16            17            18            19            20 
      1  -0.132590D+01  0.197053D+01 -0.415574D+01 -0.175268D+00  0.235099D+01
      2  -0.403863D+01  0.508742D+01  0.578762D+01 -0.148924D+01 -0.974035D+00
      3   0.421195D+01 -0.374070D+01 -0.431031D+01  0.117151D+01 -0.692513D+01
                21            22            23            24            25 
      1   0.209521D+01  0.202137D+01  0.385964D+01  0.650918D+00 -0.508452D+00
      2   0.476099D+01 -0.103372D+01  0.390869D+01  0.576698D+00  0.289972D+01
      3  -0.436993D-01 -0.114696D+01 -0.543207D+01 -0.622263D+01 -0.472476D+00
                26            27            28            29            30 
      1   0.618729D+01  0.120813D+01  0.221976D+01  0.156270D+01 -0.323756D+00
      2   0.976569D+00  0.106630D+02  0.943428D+01 -0.691429D+00  0.116842D+01
      3  -0.869171D+01  0.104512D+01  0.134985D+01 -0.181163D+01 -0.278338D+00
                31            32            33            34            35 
      1   0.286749D+01 -0.315696D+01 -0.156606D+01  0.549329D+00  0.344376D+01
      2  -0.589314D+01 -0.169562D+01  0.479505D+00 -0.619133D+01 -0.632768D+00
      3   0.395748D+01 -0.154071D+01 -0.129584D+01  0.266170D+00 -0.850919D+00
                36            37            38            39            40 
      1   0.224681D+01 -0.221911D+01 -0.156266D+01 -0.323927D+00 -0.286705D+01
      2   0.182957D+01 -0.943605D+01  0.690351D+00  0.117026D+01  0.589148D+01
      3   0.120979D+01  0.134916D+01 -0.181142D+01  0.278555D+00  0.395757D+01
                41            42            43            44            45 
      1   0.315830D+01 -0.156657D+01  0.548558D+00  0.344303D+01 -0.224602D+01
      2   0.169451D+01  0.480316D+00 -0.618938D+01 -0.631241D+00 -0.183188D+01
      3  -0.154181D+01  0.129631D+01 -0.265547D+00  0.851389D+00  0.120888D+01
                46            47            48            49            50 
      1   0.217243D+01  0.287325D+01 -0.248058D+01  0.407448D+01  0.505291D+01
      2  -0.983843D+01 -0.561274D+01  0.616997D+01 -0.630340D+01  0.191314D+00
      3   0.321213D+01 -0.490896D+01  0.264224D+01 -0.568496D+01  0.412219D+01
                51            52            53            54            55 
      1   0.259254D+01  0.297149D+00  0.411673D+01 -0.372553D+01 -0.237598D+01
      2   0.211927D+01 -0.424121D+01  0.245147D+00  0.938768D+01  0.564446D+00
      3  -0.268601D+01  0.713663D+01 -0.486545D+01 -0.214300D+01 -0.664477D+01
                56            57            58            59            60 
      1  -0.418191D-01  0.736758D+00  0.183331D+01 -0.483465D+01 -0.968804D+01
      2   0.215565D+01  0.530201D+00  0.172164D+01 -0.330182D+01  0.296096D+01
      3  -0.789931D+00 -0.185106D+00  0.138213D+02 -0.170932D+02  0.839972D+00
                61            62            63            64            65 
      1  -0.132582D+01  0.197074D+01  0.415509D+01 -0.395961D+01 -0.272749D+01
      2  -0.403883D+01  0.508688D+01 -0.578666D+01  0.487899D+00 -0.214378D+01
      3  -0.421119D+01  0.374046D+01 -0.430993D+01 -0.115634D+02 -0.567852D+01
                66            67            68            69            70 
      1   0.487490D+01 -0.564590D+01  0.562587D+01 -0.187924D+01  0.489237D+01
      2   0.401250D+01 -0.282964D+00  0.819171D+00 -0.193346D+01 -0.229292D+01
      3   0.568575D+01  0.138421D+00  0.424063D+01  0.515549D+01  0.885109D+01
                71            72            73            74            75 
      1   0.475140D+01 -0.348286D+01  0.395922D+01  0.272848D+01  0.487437D+01
      2  -0.138068D+01 -0.157136D+01 -0.488773D+00  0.214363D+01  0.401202D+01
      3   0.285536D+01 -0.303724D+01 -0.115630D+02 -0.568001D+01 -0.568478D+01
                76            77            78            79            80 
      1   0.564650D+01 -0.562532D+01 -0.187860D+01  0.489084D+01  0.475184D+01
      2   0.283178D+00 -0.819386D+00 -0.193351D+01 -0.229343D+01 -0.138067D+01
      3   0.136685D+00  0.423976D+01 -0.515582D+01 -0.884883D+01 -0.285580D+01
                81            82            83            84            85 
      1   0.348140D+01  0.175478D+00 -0.235091D+01  0.209478D+01 -0.202088D+01
      2   0.157112D+01  0.148936D+01  0.973652D+00  0.476063D+01  0.103337D+01
      3  -0.303556D+01  0.117135D+01 -0.692502D+01  0.437930D-01 -0.114553D+01
                86            87            88            89            90 
      1  -0.385983D+01  0.651177D+00 -0.508151D+00  0.618757D+01 -0.120849D+01
      2  -0.390876D+01  0.577006D+00  0.289886D+01  0.976428D+00 -0.106628D+02
      3  -0.543177D+01  0.622221D+01  0.472563D+00  0.869132D+01  0.104522D+01
                91            92            93            94            95 
      1  -0.982155D+00 -0.128326D+01  0.116046D+00 -0.125649D+01 -0.149622D+01
      2   0.289241D+00  0.510134D+00 -0.834293D-01  0.166016D+01 -0.473613D-01
      3  -0.505081D+00 -0.169557D+01  0.222198D+00  0.146635D+00 -0.120847D+01
                96            97            98            99           100 
      1   0.125692D+01  0.230472D+00  0.334777D+01 -0.132166D+01  0.982110D+00
      2   0.673164D+00 -0.269255D+01  0.251437D+00 -0.220927D+01 -0.288828D+00
      3   0.165987D+01 -0.264384D+00  0.200539D+01 -0.675734D+00 -0.504896D+00
               101           102           103           104           105 
      1   0.128319D+01  0.115945D+00  0.125650D+01  0.149597D+01  0.125681D+01
      2  -0.510153D+00 -0.835217D-01 -0.166011D+01  0.473474D-01  0.673122D+00
      3  -0.169546D+01 -0.222151D+00  0.146784D+00 -0.120823D+01 -0.165982D+01
               106           107           108           109           110 
      1   0.230514D+00  0.334772D+01  0.132121D+01  0.141431D+01  0.107540D+01
      2  -0.269262D+01  0.251224D+00  0.220966D+01 -0.564071D-01 -0.436115D+00
      3   0.264493D+00 -0.200549D+01 -0.675520D+00  0.259931D+01 -0.514420D+00
               111           112           113           114           115 
      1  -0.680027D+00  0.668852D+00  0.666107D+01 -0.348885D+01 -0.103522D+01
      2  -0.116045D+00  0.532347D+00  0.240440D+01 -0.436943D+01 -0.100199D+01
      3  -0.144090D+01  0.829908D+00  0.130653D+02 -0.361487D+01 -0.158151D+01
               116           117           118           119           120 
      1  -0.257791D+01  0.175056D+01 -0.141451D+01 -0.107562D+01 -0.679999D+00
      2  -0.298254D+01  0.313670D+01  0.563652D-01  0.436196D+00 -0.116104D+00
      3  -0.553269D+01  0.343062D+01  0.259983D+01 -0.514109D+00  0.144099D+01
               121           122           123           124           125 
      1  -0.669188D+00 -0.666051D+01 -0.348867D+01 -0.103513D+01 -0.257775D+01
      2  -0.532474D+00 -0.240449D+01 -0.436939D+01 -0.100212D+01 -0.298258D+01
      3   0.830617D+00  0.130655D+02  0.361538D+01  0.158192D+01  0.553328D+01
               126           127           128           129           130 
      1  -0.175026D+01  0.687202D+01  0.212264D+01 -0.433774D+01  0.288912D+01
      2  -0.313676D+01 -0.148122D+01  0.529753D+00 -0.100150D+01 -0.443294D+00
      3   0.343072D+01  0.118258D+02  0.315410D+01 -0.673193D+01  0.600552D+01
               131           132           133           134           135 
      1   0.199976D+01 -0.332030D+01 -0.454456D+01 -0.206972D+01  0.354007D+01
      2   0.110530D+00 -0.507923D+00 -0.510110D+00 -0.123033D+00  0.160485D+01
      3   0.240440D+01 -0.253572D+01 -0.959625D+01 -0.250786D+01  0.448102D+01
               136           137           138           139           140 
      1  -0.687135D+01 -0.212294D+01 -0.433742D+01 -0.288932D+01 -0.200069D+01
      2   0.148144D+01 -0.529570D+00 -0.100088D+01  0.443535D+00 -0.110343D+00
      3   0.118252D+02  0.315470D+01  0.673083D+01  0.600654D+01  0.240610D+01
               141           142           143           144 
      1  -0.332043D+01 -0.454330D+01 -0.206930D+01 -0.353895D+01
      2  -0.507932D+00 -0.509728D+00 -0.123093D+00 -0.160441D+01
      3   0.253556D+01  0.959372D+01  0.250757D+01  0.447977D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.432393D+01 -0.102904D+01 -0.167490D+00  0.477349D+01  0.166683D+02
      2   0.175440D+01  0.186714D+01  0.339556D+01 -0.453116D+01 -0.248599D+02
      3   0.256953D+01 -0.838102D+00 -0.322807D+01 -0.242325D+00  0.819158D+01
      4   0.866844D+01  0.112816D+01  0.182850D+01 -0.799369D+01 -0.120949D+02
      5  -0.597392D+01  0.187964D+01 -0.165334D+00 -0.227553D+01 -0.116428D+01
      6  -0.153576D+01 -0.279196D+01  0.717460D+01 -0.280150D+01 -0.794262D+01
                 6             7             8             9            10 
      1   0.379631D+01 -0.101673D+02  0.865355D+01  0.399044D+01 -0.472476D+00
      2  -0.163955D+01  0.762405D+01 -0.863151D+01 -0.253203D+01  0.502027D+01
      3  -0.215676D+01  0.254325D+01 -0.220393D-01 -0.145841D+01 -0.454779D+01
      4  -0.379889D+01 -0.427359D+00 -0.754871D+01  0.202767D+01  0.597842D+01
      5   0.494169D+01  0.916674D+00  0.444782D+01 -0.586898D+01  0.853088D+00
      6  -0.119200D+02  0.107144D+01 -0.160438D+01 -0.387897D+01  0.372919D+01
                11            12            13            14            15 
      1   0.902252D+01  0.246295D+01  0.977026D+01 -0.289516D+02 -0.356883D+01
      2  -0.414732D+01 -0.176401D+01 -0.369498D+01  0.481130D+02  0.274366D+01
      3  -0.487520D+01 -0.698945D+00 -0.607528D+01 -0.191614D+02  0.825176D+00
      4   0.136998D+02  0.261698D+01  0.146928D+02  0.319948D+02  0.491809D+01
      5   0.270880D+01  0.504176D+01  0.641932D+01  0.257294D+00  0.530806D+01
      6   0.443642D+00 -0.190240D+01  0.981466D+00  0.158410D+02  0.168581D+02
                16            17            18            19            20 
      1   0.428435D+01 -0.997431D+01 -0.111183D+02  0.405149D+02 -0.577995D+01
      2  -0.279533D+01  0.723499D+01  0.290664D+01 -0.240565D+02  0.263204D+01
      3  -0.148902D+01  0.273931D+01  0.821165D+01 -0.164585D+02  0.314791D+01
      4   0.315261D+01  0.789849D+01  0.804081D+01 -0.840218D+01  0.962518D+01
      5   0.584429D+01  0.584441D+01  0.575600D+01  0.149311D+02 -0.283152D+01
      6  -0.662367D+00  0.157034D+02  0.115525D+02 -0.324916D+01  0.312812D+01
                21            22            23            24            25 
      1   0.734809D+01 -0.342294D+00  0.168697D+01  0.275872D+01  0.129067D+02
      2  -0.647721D+01  0.105889D+00 -0.921007D+00 -0.222957D+01 -0.112812D+02
      3  -0.870879D+00  0.236406D+00 -0.765958D+00 -0.529155D+00 -0.162556D+01
      4  -0.248789D+01  0.108359D+02  0.379901D+01  0.844294D+01 -0.468692D+01
      5   0.142710D+02  0.454432D+00  0.898882D+01 -0.536857D+00  0.177969D+02
      6  -0.431885D+01  0.273715D+01 -0.215306D+01  0.754291D+01 -0.306325D+01
                26            27            28            29            30 
      1  -0.276592D+00  0.456098D+01  0.834548D+00 -0.262998D+01 -0.465796D+01
      2   0.432324D+00 -0.147520D+02  0.160494D+01  0.375190D+01 -0.452422D+01
      3  -0.155733D+00  0.101910D+02 -0.243948D+01 -0.112192D+01  0.918219D+01
      4   0.106361D+02 -0.354620D+01 -0.242438D+01 -0.157238D+01  0.159745D+01
      5  -0.514673D+01  0.190742D+02  0.944014D-01  0.122089D+01 -0.734262D+01
      6   0.723910D+01 -0.546065D+01  0.595197D+01  0.365679D+01 -0.172421D+01
                31            32            33            34            35 
      1   0.644442D+00  0.226294D+01 -0.394008D+01 -0.269839D+01 -0.366225D+01
      2   0.318395D+01 -0.453321D+01 -0.677687D+01 -0.356118D+01 -0.145786D+01
      3  -0.382839D+01  0.227026D+01  0.107169D+02  0.625957D+01  0.512011D+01
      4  -0.685026D+01  0.368939D+01  0.123490D+01  0.149558D+01  0.230910D+01
      5   0.250716D+01  0.418260D+01 -0.757184D+01 -0.627943D+01 -0.464173D+01
      6   0.172826D+01 -0.260958D+01 -0.727973D+01 -0.133869D+01 -0.599660D+00
                36            37            38            39            40 
      1  -0.456575D+00  0.836107D+00 -0.262951D+01  0.465698D+01  0.645110D+00
      2   0.976736D+01  0.160463D+01  0.375220D+01  0.452419D+01  0.318318D+01
      3  -0.931079D+01 -0.244073D+01 -0.112269D+01 -0.918117D+01 -0.382829D+01
      4  -0.310180D+01 -0.242294D+01 -0.157219D+01 -0.159762D+01 -0.685008D+01
      5   0.134844D+02 -0.951479D-01 -0.122082D+01 -0.734158D+01 -0.250703D+01
      6   0.882889D+01 -0.595174D+01 -0.365732D+01 -0.172388D+01 -0.172898D+01
                41            42            43            44            45 
      1   0.226348D+01  0.393908D+01  0.269696D+01  0.366086D+01 -0.455449D+00
      2  -0.453293D+01  0.677677D+01  0.356100D+01  0.145862D+01  0.976643D+01
      3   0.226945D+01 -0.107159D+02 -0.625796D+01 -0.511948D+01 -0.931098D+01
      4   0.369122D+01 -0.123627D+01 -0.149617D+01 -0.231004D+01 -0.310079D+01
      5  -0.418412D+01 -0.757079D+01 -0.627708D+01 -0.464044D+01 -0.134855D+02
      6   0.261038D+01 -0.728074D+01 -0.133832D+01 -0.599529D+00 -0.882919D+01
                46            47            48            49            50 
      1  -0.432493D+01 -0.102824D+01  0.167843D+00  0.477274D+01  0.166670D+02
      2   0.175487D+01  0.186539D+01 -0.339598D+01 -0.453112D+01 -0.248601D+02
      3   0.257006D+01 -0.837147D+00  0.322813D+01 -0.241620D+00  0.819302D+01
      4   0.866737D+01  0.112618D+01 -0.182771D+01 -0.799604D+01 -0.120968D+02
      5   0.597512D+01 -0.187902D+01 -0.166412D+00  0.227617D+01  0.116449D+01
      6   0.153577D+01  0.279288D+01  0.717324D+01  0.280145D+01  0.794274D+01
                51            52            53            54            55 
      1  -0.379508D+01  0.101672D+02 -0.865138D+01  0.398916D+01 -0.470168D+00
      2   0.163968D+01 -0.762316D+01  0.862996D+01 -0.253179D+01  0.501934D+01
      3   0.215541D+01 -0.254403D+01  0.214202D-01 -0.145737D+01 -0.454917D+01
      4   0.379894D+01  0.427694D+00  0.754831D+01  0.202707D+01  0.597944D+01
      5   0.494060D+01  0.915132D+00  0.444705D+01  0.586972D+01 -0.853474D+00
      6  -0.119198D+02  0.107077D+01 -0.160450D+01  0.387809D+01 -0.372887D+01
                56            57            58            59            60 
      1   0.902178D+01 -0.246221D+01  0.976984D+01 -0.289503D+02  0.356786D+01
      2  -0.414584D+01  0.176397D+01 -0.369398D+01  0.481133D+02 -0.274331D+01
      3  -0.487595D+01  0.698239D+00 -0.607586D+01 -0.191631D+02 -0.824557D+00
      4   0.137022D+02 -0.261679D+01  0.146945D+02  0.319966D+02 -0.491781D+01
      5  -0.270857D+01  0.504219D+01 -0.641977D+01 -0.256947D+00  0.530891D+01
      6  -0.444642D+00 -0.190133D+01 -0.981566D+00 -0.158409D+02  0.168574D+02
                61            62            63            64            65 
      1  -0.428352D+01  0.997313D+01 -0.111169D+02  0.724022D+01  0.965775D+00
      2   0.279503D+01 -0.723377D+01  0.290672D+01 -0.375812D+01 -0.494148D+01
      3   0.148849D+01 -0.273937D+01  0.821016D+01 -0.348210D+01  0.397571D+01
      4  -0.315236D+01 -0.789754D+01  0.804091D+01 -0.110097D+02  0.107837D+02
      5   0.584455D+01  0.584444D+01 -0.575546D+01 -0.258908D+01  0.211115D+01
      6  -0.661475D+00  0.157030D+02 -0.115516D+02  0.831590D+01 -0.441691D+01
                66            67            68            69            70 
      1   0.171649D+01 -0.708210D+00 -0.118401D+02 -0.318291D+01  0.944978D+00
      2   0.123396D+01 -0.434011D+01  0.210308D+02  0.530419D+01  0.116948D+01
      3  -0.295045D+01  0.504832D+01 -0.919076D+01 -0.212128D+01 -0.211446D+01
      4   0.406705D+01  0.996675D+01 -0.142598D+02 -0.217738D+01  0.651838D+01
      5   0.895607D+01  0.142620D+01 -0.768902D+01 -0.145216D+01  0.767876D+01
      6  -0.484835D+01 -0.176063D+01  0.129200D+02  0.114238D+02 -0.540200D+01
                71            72            73            74            75 
      1  -0.611356D+01 -0.559544D+01  0.724154D+01  0.967250D+00 -0.171581D+01
      2   0.462872D+01 -0.320302D+01 -0.375998D+01 -0.494418D+01 -0.123419D+01
      3   0.148484D+01  0.879846D+01 -0.348156D+01  0.397693D+01  0.295000D+01
      4  -0.469808D+01 -0.572834D+01 -0.110101D+02  0.107833D+02 -0.406699D+01
      5  -0.395541D+01 -0.471978D+01  0.259044D+01 -0.211156D+01  0.895642D+01
      6   0.969173D+01  0.933205D+01 -0.831526D+01  0.441754D+01 -0.484802D+01
                76            77            78            79            80 
      1  -0.707241D+00 -0.118380D+02  0.318331D+01 -0.944106D+00  0.611418D+01
      2  -0.434126D+01  0.210273D+02 -0.530455D+01 -0.117007D+01 -0.462961D+01
      3   0.504850D+01 -0.918923D+01  0.212123D+01  0.211418D+01 -0.148458D+01
      4   0.996656D+01 -0.142611D+02  0.217807D+01 -0.651718D+01  0.469746D+01
      5  -0.142623D+01  0.769024D+01 -0.145272D+01  0.767894D+01 -0.395577D+01
      6   0.176126D+01 -0.129203D+02  0.114243D+02 -0.540052D+01  0.969139D+01
                81            82            83            84            85 
      1  -0.559491D+01  0.405118D+02 -0.578026D+01 -0.734828D+01 -0.342844D+00
      2  -0.320342D+01 -0.240552D+02  0.263252D+01  0.647739D+01  0.106177D+00
      3   0.879833D+01 -0.164566D+02  0.314774D+01  0.870892D+00  0.236667D+00
      4  -0.572779D+01 -0.840242D+01  0.962497D+01  0.248761D+01  0.108353D+02
      5   0.471961D+01 -0.149315D+02  0.283141D+01  0.142710D+02 -0.454291D+00
      6  -0.933112D+01  0.324894D+01 -0.312820D+01 -0.431859D+01 -0.273660D+01
                86            87            88            89            90 
      1   0.168636D+01 -0.275882D+01 -0.129058D+02  0.276251D+00  0.455997D+01
      2  -0.921182D+00  0.222950D+01  0.112805D+02 -0.432301D+00 -0.147520D+02
      3  -0.765173D+00  0.529316D+00  0.162533D+01  0.156050D+00  0.101920D+02
      4   0.379926D+01 -0.844248D+01  0.468702D+01 -0.106359D+02 -0.354639D+01
      5  -0.898826D+01 -0.537006D+00  0.177966D+02 -0.514682D+01 -0.190748D+02
      6   0.215297D+01  0.754262D+01 -0.306316D+01  0.723952D+01  0.546108D+01
                91            92            93            94            95 
      1   0.296690D+01  0.141504D+01 -0.442203D+00  0.572253D+00 -0.220855D+01
      2  -0.716202D+01 -0.193423D+01  0.711634D+01 -0.171636D+01 -0.194380D+01
      3   0.419512D+01  0.519198D+00 -0.667413D+01  0.114411D+01  0.415235D+01
      4   0.286962D+01  0.318354D+01 -0.183165D+01  0.426638D+01  0.335607D+01
      5  -0.961713D+01 -0.246623D+01  0.130624D+02 -0.365393D+01 -0.541396D+01
      6  -0.330663D+01 -0.252558D+01  0.277106D+01 -0.312426D+01 -0.530311D+01
                96            97            98            99           100 
      1   0.367874D+01 -0.948484D-01  0.245000D+01 -0.101288D+02  0.296667D+01
      2   0.398877D+01  0.688457D+01  0.281756D+01 -0.169893D+02 -0.716168D+01
      3  -0.766751D+01 -0.678972D+01 -0.526756D+01  0.271180D+02  0.419502D+01
      4  -0.399054D+01 -0.195578D+01 -0.361527D+01  0.337368D+01  0.286959D+01
      5   0.721820D+01  0.117511D+02  0.437470D+01 -0.206396D+02  0.961681D+01
      6   0.902291D+01  0.256278D+01  0.622130D+01 -0.864089D+01  0.330693D+01
               101           102           103           104           105 
      1   0.141503D+01  0.442380D+00  0.572211D+00 -0.220857D+01 -0.367857D+01
      2  -0.193423D+01 -0.711592D+01 -0.171617D+01 -0.194365D+01 -0.398849D+01
      3   0.519202D+00  0.667354D+01  0.114396D+01  0.415222D+01  0.766706D+01
      4   0.318362D+01  0.183178D+01  0.426642D+01  0.335617D+01  0.399062D+01
      5   0.246629D+01  0.130619D+02  0.365377D+01  0.541400D+01  0.721810D+01
      6   0.252562D+01  0.277108D+01  0.312426D+01  0.530325D+01  0.902294D+01
               106           107           108           109           110 
      1   0.951669D-01 -0.244999D+01 -0.101286D+02  0.336196D+01 -0.351626D+01
      2  -0.688424D+01 -0.281757D+01 -0.169884D+02 -0.342840D+00  0.465977D+00
      3   0.678907D+01  0.526756D+01  0.271170D+02 -0.301912D+01  0.305028D+01
      4   0.195594D+01  0.361554D+01  0.337380D+01 -0.455699D+01  0.395646D+01
      5   0.117505D+02  0.437482D+01  0.206395D+02  0.191701D+01  0.662640D+00
      6   0.256289D+01  0.622142D+01  0.864156D+01 -0.260607D+00 -0.133052D+00
               111           112           113           114           115 
      1   0.111360D+01 -0.104223D+02  0.265817D+01  0.236837D+01  0.608097D+01
      2  -0.120816D+01  0.428322D+01  0.370122D+01 -0.326641D+01 -0.315944D+01
      3   0.945577D-01  0.613905D+01 -0.635939D+01  0.898031D+00 -0.292153D+01
      4  -0.283648D+00  0.762791D+01 -0.189017D+02  0.735038D+00 -0.836854D+00
      5  -0.292662D-01  0.456311D+01  0.170928D+01 -0.662336D+01 -0.115779D+01
      6  -0.900185D-01 -0.239009D+01  0.448256D+01  0.184959D+01  0.539569D+00
               116           117           118           119           120 
      1  -0.103044D+01 -0.175133D+01  0.336153D+01 -0.351623D+01 -0.111395D+01
      2  -0.251168D+00  0.235158D+01 -0.342546D+00  0.465870D+00  0.120839D+01
      3   0.128161D+01 -0.600245D+00 -0.301898D+01  0.305036D+01 -0.944383D-01
      4   0.465106D+01 -0.271653D+01 -0.455682D+01  0.395638D+01  0.283814D+00
      5  -0.329970D+01  0.315438D+01 -0.191753D+01 -0.662470D+00 -0.293278D-01
      6   0.541256D+00  0.928805D-01  0.260753D+00  0.132877D+00 -0.901104D-01
               121           122           123           124           125 
      1  -0.104232D+02  0.265837D+01 -0.236841D+01 -0.608181D+01  0.103049D+01
      2   0.428379D+01  0.370071D+01  0.326640D+01  0.315997D+01  0.251092D+00
      3   0.613941D+01 -0.635908D+01 -0.897993D+00  0.292184D+01 -0.128158D+01
      4   0.762789D+01 -0.189013D+02 -0.735612D+00  0.837161D+00 -0.465156D+01
      5  -0.456294D+01 -0.170992D+01 -0.662338D+01 -0.115758D+01 -0.329990D+01
      6   0.238980D+01 -0.448191D+01  0.184920D+01  0.539431D+00  0.541175D+00
               126           127           128           129           130 
      1  -0.175119D+01 -0.193206D+01 -0.229404D+01 -0.274334D+01 -0.236355D+01
      2   0.235142D+01  0.284457D+01  0.422881D+01 -0.728625D+00  0.286269D+01
      3  -0.600229D+00 -0.912513D+00 -0.193477D+01  0.347196D+01 -0.499140D+00
      4  -0.271673D+01  0.599222D+01 -0.246649D+01 -0.229608D+01  0.359677D+01
      5  -0.315469D+01  0.157702D+01  0.118365D+01 -0.290790D+01  0.159095D+01
      6  -0.929353D-01 -0.449261D+01  0.379110D+01  0.293801D+01 -0.961812D+00
               131           132           133           134           135 
      1  -0.583573D+01 -0.394510D-01  0.109985D+01  0.183927D+01 -0.923199D-01
      2   0.105318D+02 -0.206238D+01 -0.117060D+01 -0.380507D+01  0.186010D+01
      3  -0.469603D+01  0.210183D+01  0.707568D-01  0.196580D+01 -0.176778D+01
      4  -0.467994D+00 -0.525449D+00 -0.477543D+01  0.343247D+01  0.165067D+01
      5   0.737714D+00 -0.128362D+01 -0.408605D+00 -0.507747D+00  0.209560D+01
      6   0.121819D+01  0.338983D+01  0.340763D+01  0.114627D+01 -0.225612D+01
               136           137           138           139           140 
      1  -0.193298D+01 -0.229566D+01  0.274259D+01 -0.236485D+01 -0.583752D+01
      2   0.284604D+01  0.423133D+01  0.728687D+00  0.286449D+01  0.105350D+02
      3  -0.913058D+00 -0.193567D+01 -0.347128D+01 -0.499639D+00 -0.469751D+01
      4   0.599169D+01 -0.246429D+01  0.229543D+01  0.359757D+01 -0.467702D+00
      5  -0.157742D+01 -0.118403D+01 -0.290732D+01 -0.159138D+01 -0.737909D+00
      6   0.449120D+01 -0.379090D+01  0.293777D+01  0.961550D+00 -0.121928D+01
               141           142           143           144 
      1   0.395856D-01 -0.110022D+01 -0.183937D+01 -0.928357D-01
      2   0.206246D+01  0.117072D+01  0.380543D+01  0.185969D+01
      3  -0.210205D+01 -0.704979D-01 -0.196606D+01 -0.176686D+01
      4   0.525597D+00  0.477369D+01 -0.343143D+01  0.164995D+01
      5  -0.128382D+01 -0.408267D+00 -0.507840D+00 -0.209480D+01
      6   0.338977D+01  0.340644D+01  0.114663D+01  0.225466D+01
 Leave Link  716 at Fri Jul 23 15:37:13 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.722847D+02 -0.576883D+01 -0.230082D-03
      2  -0.576883D+01  0.766781D+02  0.245657D-03
      3  -0.230082D-03  0.245657D-03  0.617730D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.785563D+01  0.501839D+01  0.431963D-04
      2  -0.247381D+02 -0.927575D+01 -0.706305D-03
      3   0.361771D-03  0.428953D-04  0.162643D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.407196D-02  0.170321D-02 -0.383133D+02
      2   0.235215D-02 -0.406383D-03 -0.238310D+01
      3   0.171981D-02 -0.129683D-02  0.406964D+02
      4   0.241608D-03  0.132534D-02 -0.123698D+02
      5  -0.172423D+02 -0.286534D+01  0.403271D-03
      6  -0.398517D+00  0.902400D+00 -0.160056D-02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.188725D+00 -0.107785D+01  0.104694D+00  0.117013D+01 -0.135068D+01
      2  -0.107785D+01 -0.746592D+00 -0.722976D+00 -0.135068D+01  0.500814D+01
      3   0.104694D+00 -0.722976D+00 -0.885263D+00 -0.497846D-01  0.733953D+00
                 6             7             8             9            10 
      1  -0.497846D-01  0.120502D+01 -0.151543D+01 -0.431227D+00  0.158410D+01
      2   0.733953D+00 -0.151543D+01  0.140450D+01 -0.665644D+00 -0.254181D+01
      3   0.340089D+00 -0.431227D+00 -0.665644D+00 -0.235446D+00 -0.521273D+00
                11            12            13            14            15 
      1  -0.254181D+01 -0.521273D+00 -0.421870D+01  0.550976D+00 -0.955793D+00
      2  -0.147195D+00 -0.733581D-01  0.550976D+00 -0.112181D+02 -0.176342D+01
      3  -0.733581D-01  0.678204D+00 -0.955793D+00 -0.176342D+01 -0.289213D+01
                16            17            18            19            20 
      1  -0.108033D+01  0.258588D+00  0.322452D-01 -0.544638D+01  0.145768D+01
      2   0.258588D+00 -0.267243D+01 -0.289154D+01  0.145768D+01 -0.955639D+00
      3   0.322452D-01 -0.289154D+01 -0.243840D+01 -0.177854D+01  0.270807D+00
                21            22            23            24            25 
      1  -0.177854D+01 -0.559395D+00 -0.100604D+01 -0.402985D+00 -0.287948D+01
      2   0.270807D+00 -0.100604D+01 -0.124286D+01 -0.189398D+01  0.641084D+00
      3  -0.117720D+01 -0.402985D+00 -0.189398D+01 -0.501732D+00 -0.280806D+01
                26            27            28            29            30 
      1   0.641084D+00 -0.280806D+01 -0.463739D+01  0.161928D+01 -0.697519D-01
      2  -0.226222D+01  0.870485D+00  0.161928D+01  0.115848D+01  0.727748D-01
      3   0.870485D+00 -0.337893D+01 -0.697519D-01  0.727748D-01  0.261925D+01
                31            32            33            34            35 
      1   0.287303D+01  0.187446D+01 -0.516600D+00 -0.398109D+00  0.230249D+00
      2   0.187446D+01 -0.229747D+01 -0.510911D+00  0.230249D+00 -0.354434D+00
      3  -0.516600D+00 -0.510911D+00  0.370970D+01  0.245879D+01  0.211166D+01
                36            37            38            39            40 
      1   0.245879D+01  0.463797D+01 -0.161888D+01 -0.705260D-01 -0.287233D+01
      2   0.211166D+01 -0.161888D+01 -0.115848D+01  0.725468D-01 -0.187433D+01
      3  -0.243335D+01 -0.705260D-01  0.725468D-01 -0.261887D+01 -0.516673D+00
                41            42            43            44            45 
      1  -0.187433D+01 -0.516673D+00 -0.398734D+00  0.229852D+00 -0.245811D+01
      2   0.229802D+01 -0.511412D+00  0.229852D+00 -0.354960D+00 -0.211121D+01
      3  -0.511412D+00 -0.370928D+01 -0.245811D+01 -0.211121D+01 -0.243384D+01
                46            47            48            49            50 
      1   0.187889D+00  0.107763D+01  0.105037D+00 -0.117090D+01  0.135015D+01
      2   0.107763D+01  0.745893D+00 -0.722666D+00  0.135015D+01 -0.500879D+01
      3   0.105037D+00 -0.722666D+00  0.884668D+00 -0.493668D-01  0.734156D+00
                51            52            53            54            55 
      1  -0.493668D-01  0.120528D+01 -0.151499D+01  0.430641D+00 -0.158378D+01
      2   0.734156D+00 -0.151499D+01  0.140433D+01  0.665396D+00  0.254187D+01
      3  -0.340356D+00  0.430641D+00  0.665396D+00 -0.235256D+00 -0.521157D+00
                56            57            58            59            60 
      1   0.254187D+01 -0.521157D+00  0.421910D+01 -0.550560D+00 -0.956009D+00
      2   0.147702D+00 -0.734519D-01 -0.550560D+00  0.112185D+02 -0.176336D+01
      3  -0.734519D-01 -0.677988D+00 -0.956009D+00 -0.176336D+01  0.289227D+01
                61            62            63            64            65 
      1  -0.108015D+01  0.258527D+00 -0.320378D-01 -0.410754D+01  0.156221D+01
      2   0.258527D+00 -0.267208D+01  0.289142D+01  0.156221D+01 -0.204616D+01
      3  -0.320378D-01  0.289142D+01 -0.243811D+01  0.166956D+01 -0.151141D+00
                66            67            68            69            70 
      1   0.166956D+01 -0.579633D+00 -0.221277D+01  0.890143D+00  0.268062D+01
      2  -0.151141D+00 -0.221277D+01  0.597876D+01  0.173834D+01 -0.263973D-01
      3  -0.184219D+01  0.890143D+00  0.173834D+01 -0.147305D+00 -0.194371D+01
                71            72            73            74            75 
      1  -0.263973D-01 -0.194371D+01  0.410748D+01 -0.156202D+01  0.166944D+01
      2   0.202558D+01  0.154292D+01 -0.156202D+01  0.204692D+01 -0.151245D+00
      3   0.154292D+01  0.240306D+01  0.166944D+01 -0.151245D+00  0.184206D+01
                76            77            78            79            80 
      1   0.579718D+00  0.221314D+01  0.890028D+00  0.267977D+01 -0.263090D-01
      2   0.221314D+01 -0.597820D+01  0.173854D+01 -0.263090D-01  0.202573D+01
      3   0.890028D+00  0.173854D+01  0.147239D+00  0.194320D+01 -0.154299D+01
                81            82            83            84            85 
      1   0.194320D+01  0.544601D+01 -0.145771D+01 -0.177859D+01  0.559229D+00
      2  -0.154299D+01 -0.145771D+01  0.955704D+00  0.270739D+00  0.100589D+01
      3   0.240261D+01 -0.177859D+01  0.270739D+00  0.117730D+01 -0.402944D+00
                86            87            88            89            90 
      1   0.100589D+01 -0.402944D+00 -0.287936D+01  0.641047D+00  0.280800D+01
      2   0.124298D+01 -0.189396D+01  0.641047D+00 -0.226221D+01 -0.870542D+00
      3  -0.189396D+01  0.501696D+00  0.280800D+01 -0.870542D+00 -0.337920D+01
                91            92            93            94            95 
      1  -0.141973D+01 -0.852833D+00  0.192884D+01 -0.139267D+01 -0.105366D+01
      2  -0.852833D+00 -0.853323D+00  0.273999D+00 -0.105366D+01 -0.110209D+01
      3   0.192884D+01  0.273999D+00 -0.242337D+01  0.563837D+00  0.156009D+01
                96            97            98            99           100 
      1   0.563837D+00  0.223441D+01  0.442684D+00 -0.232900D+01  0.141952D+01
      2   0.156009D+01  0.442684D+00  0.158434D+01 -0.141616D+01  0.852817D+00
      3  -0.231979D+01 -0.232900D+01 -0.141616D+01  0.655389D+01  0.192885D+01
               101           102           103           104           105 
      1   0.852817D+00  0.192885D+01  0.139260D+01  0.105365D+01  0.563821D+00
      2   0.853316D+00  0.274007D+00  0.105365D+01  0.110210D+01  0.156008D+01
      3   0.274007D+00  0.242325D+01  0.563821D+00  0.156008D+01  0.231973D+01
               106           107           108           109           110 
      1   0.223444D+01  0.442730D+00  0.232883D+01  0.818121D+00 -0.793877D+00
      2   0.442730D+00  0.158445D+01  0.141614D+01 -0.793877D+00  0.624047D+00
      3   0.232883D+01  0.141614D+01  0.655382D+01  0.391704D+00  0.179132D+00
               111           112           113           114           115 
      1   0.391704D+00 -0.251712D+01  0.119597D+01  0.926093D+00  0.114466D+01
      2   0.179132D+00  0.119597D+01 -0.417357D+01  0.380199D+00 -0.523852D-02
      3  -0.162077D-02  0.926093D+00  0.380199D+00 -0.168579D+01 -0.387488D+00
               116           117           118           119           120 
      1  -0.523852D-02 -0.387488D+00 -0.817959D+00  0.793886D+00  0.391806D+00
      2   0.105461D+01 -0.839154D+00  0.793886D+00 -0.624053D+00  0.179110D+00
      3  -0.839154D+00  0.515701D+00  0.391806D+00  0.179110D+00  0.161402D-02
               121           122           123           124           125 
      1   0.251731D+01 -0.119589D+01  0.926091D+00  0.114486D+01 -0.524112D-02
      2  -0.119589D+01  0.417335D+01  0.380319D+00 -0.524112D-02  0.105468D+01
      3   0.926091D+00  0.380319D+00  0.168572D+01  0.387469D+00  0.839163D+00
               126           127           128           129           130 
      1   0.387469D+00  0.353012D+01  0.361727D+00 -0.172525D+01  0.157843D+01
      2   0.839163D+00  0.361727D+00  0.104977D+01  0.150862D+00  0.370586D+00
      3   0.515722D+00 -0.172525D+01  0.150862D+00  0.140496D+01 -0.454935D+00
               131           132           133           134           135 
      1   0.370586D+00 -0.454935D+00 -0.290698D+01 -0.255387D-01  0.115268D+01
      2   0.239133D+01 -0.244326D+00 -0.255387D-01 -0.779990D+00  0.424176D+00
      3  -0.244326D+00  0.104473D+01  0.115268D+01  0.424176D+00 -0.986451D+00
               136           137           138           139           140 
      1  -0.352969D+01 -0.362121D+00 -0.172484D+01 -0.157879D+01 -0.370894D+00
      2  -0.362121D+00 -0.105039D+01  0.150860D+00 -0.370894D+00 -0.239205D+01
      3  -0.172484D+01  0.150860D+00 -0.140479D+01 -0.454923D+00 -0.244293D+00
               141           142           143           144 
      1  -0.454923D+00 -0.290594D+01 -0.256129D-01 -0.115222D+01
      2  -0.244293D+00 -0.256129D-01 -0.779912D+00 -0.424123D+00
      3  -0.104480D+01 -0.115222D+01 -0.424123D+00 -0.985832D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.217345D+01 -0.287362D+01 -0.248211D+01 -0.407522D+01 -0.505418D+01
      2   0.983974D+01  0.561445D+01  0.617105D+01  0.630609D+01 -0.189971D+00
      3   0.321236D+01 -0.490973D+01 -0.264290D+01 -0.568403D+01  0.412161D+01
                 6             7             8             9            10 
      1   0.259189D+01  0.297415D+00  0.411649D+01  0.372635D+01  0.237610D+01
      2   0.212131D+01 -0.424089D+01  0.245903D+00 -0.938688D+01 -0.563941D+00
      3   0.268601D+01 -0.713835D+01  0.486585D+01 -0.214384D+01 -0.664538D+01
                11            12            13            14            15 
      1   0.416639D-01  0.737545D+00 -0.183346D+01  0.483476D+01 -0.968808D+01
      2  -0.215588D+01  0.529986D+00 -0.172270D+01  0.330178D+01  0.296030D+01
      3  -0.789097D+00  0.185322D+00  0.138212D+02 -0.170937D+02 -0.840220D+00
                16            17            18            19            20 
      1  -0.132590D+01  0.197053D+01 -0.415574D+01 -0.175268D+00  0.235099D+01
      2  -0.403863D+01  0.508742D+01  0.578762D+01 -0.148924D+01 -0.974035D+00
      3   0.421195D+01 -0.374070D+01 -0.431031D+01  0.117151D+01 -0.692513D+01
                21            22            23            24            25 
      1   0.209521D+01  0.202137D+01  0.385964D+01  0.650918D+00 -0.508452D+00
      2   0.476099D+01 -0.103372D+01  0.390869D+01  0.576698D+00  0.289972D+01
      3  -0.436993D-01 -0.114696D+01 -0.543207D+01 -0.622263D+01 -0.472476D+00
                26            27            28            29            30 
      1   0.618729D+01  0.120813D+01  0.221976D+01  0.156270D+01 -0.323756D+00
      2   0.976569D+00  0.106630D+02  0.943428D+01 -0.691429D+00  0.116842D+01
      3  -0.869171D+01  0.104512D+01  0.134985D+01 -0.181163D+01 -0.278338D+00
                31            32            33            34            35 
      1   0.286749D+01 -0.315696D+01 -0.156606D+01  0.549329D+00  0.344376D+01
      2  -0.589314D+01 -0.169562D+01  0.479505D+00 -0.619133D+01 -0.632768D+00
      3   0.395748D+01 -0.154071D+01 -0.129584D+01  0.266170D+00 -0.850919D+00
                36            37            38            39            40 
      1   0.224681D+01 -0.221911D+01 -0.156266D+01 -0.323927D+00 -0.286705D+01
      2   0.182957D+01 -0.943605D+01  0.690351D+00  0.117026D+01  0.589148D+01
      3   0.120979D+01  0.134916D+01 -0.181142D+01  0.278555D+00  0.395757D+01
                41            42            43            44            45 
      1   0.315830D+01 -0.156657D+01  0.548558D+00  0.344303D+01 -0.224602D+01
      2   0.169451D+01  0.480316D+00 -0.618938D+01 -0.631241D+00 -0.183188D+01
      3  -0.154181D+01  0.129631D+01 -0.265547D+00  0.851389D+00  0.120888D+01
                46            47            48            49            50 
      1   0.217243D+01  0.287325D+01 -0.248058D+01  0.407448D+01  0.505291D+01
      2  -0.983843D+01 -0.561274D+01  0.616997D+01 -0.630340D+01  0.191314D+00
      3   0.321213D+01 -0.490896D+01  0.264224D+01 -0.568496D+01  0.412219D+01
                51            52            53            54            55 
      1   0.259254D+01  0.297149D+00  0.411673D+01 -0.372553D+01 -0.237598D+01
      2   0.211927D+01 -0.424121D+01  0.245147D+00  0.938768D+01  0.564446D+00
      3  -0.268601D+01  0.713663D+01 -0.486545D+01 -0.214300D+01 -0.664477D+01
                56            57            58            59            60 
      1  -0.418191D-01  0.736758D+00  0.183331D+01 -0.483465D+01 -0.968804D+01
      2   0.215565D+01  0.530201D+00  0.172164D+01 -0.330182D+01  0.296096D+01
      3  -0.789931D+00 -0.185106D+00  0.138213D+02 -0.170932D+02  0.839972D+00
                61            62            63            64            65 
      1  -0.132582D+01  0.197074D+01  0.415509D+01 -0.395961D+01 -0.272749D+01
      2  -0.403883D+01  0.508688D+01 -0.578666D+01  0.487899D+00 -0.214378D+01
      3  -0.421119D+01  0.374046D+01 -0.430993D+01 -0.115634D+02 -0.567852D+01
                66            67            68            69            70 
      1   0.487490D+01 -0.564590D+01  0.562587D+01 -0.187924D+01  0.489237D+01
      2   0.401250D+01 -0.282964D+00  0.819171D+00 -0.193346D+01 -0.229292D+01
      3   0.568575D+01  0.138421D+00  0.424063D+01  0.515549D+01  0.885109D+01
                71            72            73            74            75 
      1   0.475140D+01 -0.348286D+01  0.395922D+01  0.272848D+01  0.487437D+01
      2  -0.138068D+01 -0.157136D+01 -0.488773D+00  0.214363D+01  0.401202D+01
      3   0.285536D+01 -0.303724D+01 -0.115630D+02 -0.568001D+01 -0.568478D+01
                76            77            78            79            80 
      1   0.564650D+01 -0.562532D+01 -0.187860D+01  0.489084D+01  0.475184D+01
      2   0.283178D+00 -0.819386D+00 -0.193351D+01 -0.229343D+01 -0.138067D+01
      3   0.136685D+00  0.423976D+01 -0.515582D+01 -0.884883D+01 -0.285580D+01
                81            82            83            84            85 
      1   0.348140D+01  0.175478D+00 -0.235091D+01  0.209478D+01 -0.202088D+01
      2   0.157112D+01  0.148936D+01  0.973652D+00  0.476063D+01  0.103337D+01
      3  -0.303556D+01  0.117135D+01 -0.692502D+01  0.437930D-01 -0.114553D+01
                86            87            88            89            90 
      1  -0.385983D+01  0.651177D+00 -0.508151D+00  0.618757D+01 -0.120849D+01
      2  -0.390876D+01  0.577006D+00  0.289886D+01  0.976428D+00 -0.106628D+02
      3  -0.543177D+01  0.622221D+01  0.472563D+00  0.869132D+01  0.104522D+01
                91            92            93            94            95 
      1  -0.982155D+00 -0.128326D+01  0.116046D+00 -0.125649D+01 -0.149622D+01
      2   0.289241D+00  0.510134D+00 -0.834293D-01  0.166016D+01 -0.473613D-01
      3  -0.505081D+00 -0.169557D+01  0.222198D+00  0.146635D+00 -0.120847D+01
                96            97            98            99           100 
      1   0.125692D+01  0.230472D+00  0.334777D+01 -0.132166D+01  0.982110D+00
      2   0.673164D+00 -0.269255D+01  0.251437D+00 -0.220927D+01 -0.288828D+00
      3   0.165987D+01 -0.264384D+00  0.200539D+01 -0.675734D+00 -0.504896D+00
               101           102           103           104           105 
      1   0.128319D+01  0.115945D+00  0.125650D+01  0.149597D+01  0.125681D+01
      2  -0.510153D+00 -0.835217D-01 -0.166011D+01  0.473474D-01  0.673122D+00
      3  -0.169546D+01 -0.222151D+00  0.146784D+00 -0.120823D+01 -0.165982D+01
               106           107           108           109           110 
      1   0.230514D+00  0.334772D+01  0.132121D+01  0.141431D+01  0.107540D+01
      2  -0.269262D+01  0.251224D+00  0.220966D+01 -0.564071D-01 -0.436115D+00
      3   0.264493D+00 -0.200549D+01 -0.675520D+00  0.259931D+01 -0.514420D+00
               111           112           113           114           115 
      1  -0.680027D+00  0.668852D+00  0.666107D+01 -0.348885D+01 -0.103522D+01
      2  -0.116045D+00  0.532347D+00  0.240440D+01 -0.436943D+01 -0.100199D+01
      3  -0.144090D+01  0.829908D+00  0.130653D+02 -0.361487D+01 -0.158151D+01
               116           117           118           119           120 
      1  -0.257791D+01  0.175056D+01 -0.141451D+01 -0.107562D+01 -0.679999D+00
      2  -0.298254D+01  0.313670D+01  0.563652D-01  0.436196D+00 -0.116104D+00
      3  -0.553269D+01  0.343062D+01  0.259983D+01 -0.514109D+00  0.144099D+01
               121           122           123           124           125 
      1  -0.669188D+00 -0.666051D+01 -0.348867D+01 -0.103513D+01 -0.257775D+01
      2  -0.532474D+00 -0.240449D+01 -0.436939D+01 -0.100212D+01 -0.298258D+01
      3   0.830617D+00  0.130655D+02  0.361538D+01  0.158192D+01  0.553328D+01
               126           127           128           129           130 
      1  -0.175026D+01  0.687202D+01  0.212264D+01 -0.433774D+01  0.288912D+01
      2  -0.313676D+01 -0.148122D+01  0.529753D+00 -0.100150D+01 -0.443294D+00
      3   0.343072D+01  0.118258D+02  0.315410D+01 -0.673193D+01  0.600552D+01
               131           132           133           134           135 
      1   0.199976D+01 -0.332030D+01 -0.454456D+01 -0.206972D+01  0.354007D+01
      2   0.110530D+00 -0.507923D+00 -0.510110D+00 -0.123033D+00  0.160485D+01
      3   0.240440D+01 -0.253572D+01 -0.959625D+01 -0.250786D+01  0.448102D+01
               136           137           138           139           140 
      1  -0.687135D+01 -0.212294D+01 -0.433742D+01 -0.288932D+01 -0.200069D+01
      2   0.148144D+01 -0.529570D+00 -0.100088D+01  0.443535D+00 -0.110343D+00
      3   0.118252D+02  0.315470D+01  0.673083D+01  0.600654D+01  0.240610D+01
               141           142           143           144 
      1  -0.332043D+01 -0.454330D+01 -0.206930D+01 -0.353895D+01
      2  -0.507932D+00 -0.509728D+00 -0.123093D+00 -0.160441D+01
      3   0.253556D+01  0.959372D+01  0.250757D+01  0.447977D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.432393D+01 -0.102904D+01 -0.167490D+00  0.477349D+01  0.166683D+02
      2   0.175440D+01  0.186714D+01  0.339556D+01 -0.453116D+01 -0.248599D+02
      3   0.256953D+01 -0.838102D+00 -0.322807D+01 -0.242325D+00  0.819158D+01
      4   0.866844D+01  0.112816D+01  0.182850D+01 -0.799369D+01 -0.120949D+02
      5  -0.597392D+01  0.187964D+01 -0.165334D+00 -0.227553D+01 -0.116428D+01
      6  -0.153576D+01 -0.279196D+01  0.717460D+01 -0.280150D+01 -0.794262D+01
                 6             7             8             9            10 
      1   0.379631D+01 -0.101673D+02  0.865355D+01  0.399044D+01 -0.472476D+00
      2  -0.163955D+01  0.762405D+01 -0.863151D+01 -0.253203D+01  0.502027D+01
      3  -0.215676D+01  0.254325D+01 -0.220393D-01 -0.145841D+01 -0.454779D+01
      4  -0.379889D+01 -0.427359D+00 -0.754871D+01  0.202767D+01  0.597842D+01
      5   0.494169D+01  0.916674D+00  0.444782D+01 -0.586898D+01  0.853088D+00
      6  -0.119200D+02  0.107144D+01 -0.160438D+01 -0.387897D+01  0.372919D+01
                11            12            13            14            15 
      1   0.902252D+01  0.246295D+01  0.977026D+01 -0.289516D+02 -0.356883D+01
      2  -0.414732D+01 -0.176401D+01 -0.369498D+01  0.481130D+02  0.274366D+01
      3  -0.487520D+01 -0.698945D+00 -0.607528D+01 -0.191614D+02  0.825176D+00
      4   0.136998D+02  0.261698D+01  0.146928D+02  0.319948D+02  0.491809D+01
      5   0.270880D+01  0.504176D+01  0.641932D+01  0.257294D+00  0.530806D+01
      6   0.443642D+00 -0.190240D+01  0.981466D+00  0.158410D+02  0.168581D+02
                16            17            18            19            20 
      1   0.428435D+01 -0.997431D+01 -0.111183D+02  0.405149D+02 -0.577995D+01
      2  -0.279533D+01  0.723499D+01  0.290664D+01 -0.240565D+02  0.263204D+01
      3  -0.148902D+01  0.273931D+01  0.821165D+01 -0.164585D+02  0.314791D+01
      4   0.315261D+01  0.789849D+01  0.804081D+01 -0.840218D+01  0.962518D+01
      5   0.584429D+01  0.584441D+01  0.575600D+01  0.149311D+02 -0.283152D+01
      6  -0.662367D+00  0.157034D+02  0.115525D+02 -0.324916D+01  0.312812D+01
                21            22            23            24            25 
      1   0.734809D+01 -0.342294D+00  0.168697D+01  0.275872D+01  0.129067D+02
      2  -0.647721D+01  0.105889D+00 -0.921007D+00 -0.222957D+01 -0.112812D+02
      3  -0.870879D+00  0.236406D+00 -0.765958D+00 -0.529155D+00 -0.162556D+01
      4  -0.248789D+01  0.108359D+02  0.379901D+01  0.844294D+01 -0.468692D+01
      5   0.142710D+02  0.454432D+00  0.898882D+01 -0.536857D+00  0.177969D+02
      6  -0.431885D+01  0.273715D+01 -0.215306D+01  0.754291D+01 -0.306325D+01
                26            27            28            29            30 
      1  -0.276592D+00  0.456098D+01  0.834548D+00 -0.262998D+01 -0.465796D+01
      2   0.432324D+00 -0.147520D+02  0.160494D+01  0.375190D+01 -0.452422D+01
      3  -0.155733D+00  0.101910D+02 -0.243948D+01 -0.112192D+01  0.918219D+01
      4   0.106361D+02 -0.354620D+01 -0.242438D+01 -0.157238D+01  0.159745D+01
      5  -0.514673D+01  0.190742D+02  0.944014D-01  0.122089D+01 -0.734262D+01
      6   0.723910D+01 -0.546065D+01  0.595197D+01  0.365679D+01 -0.172421D+01
                31            32            33            34            35 
      1   0.644442D+00  0.226294D+01 -0.394008D+01 -0.269839D+01 -0.366225D+01
      2   0.318395D+01 -0.453321D+01 -0.677687D+01 -0.356118D+01 -0.145786D+01
      3  -0.382839D+01  0.227026D+01  0.107169D+02  0.625957D+01  0.512011D+01
      4  -0.685026D+01  0.368939D+01  0.123490D+01  0.149558D+01  0.230910D+01
      5   0.250716D+01  0.418260D+01 -0.757184D+01 -0.627943D+01 -0.464173D+01
      6   0.172826D+01 -0.260958D+01 -0.727973D+01 -0.133869D+01 -0.599660D+00
                36            37            38            39            40 
      1  -0.456575D+00  0.836107D+00 -0.262951D+01  0.465698D+01  0.645110D+00
      2   0.976736D+01  0.160463D+01  0.375220D+01  0.452419D+01  0.318318D+01
      3  -0.931079D+01 -0.244073D+01 -0.112269D+01 -0.918117D+01 -0.382829D+01
      4  -0.310180D+01 -0.242294D+01 -0.157219D+01 -0.159762D+01 -0.685008D+01
      5   0.134844D+02 -0.951479D-01 -0.122082D+01 -0.734158D+01 -0.250703D+01
      6   0.882889D+01 -0.595174D+01 -0.365732D+01 -0.172388D+01 -0.172898D+01
                41            42            43            44            45 
      1   0.226348D+01  0.393908D+01  0.269696D+01  0.366086D+01 -0.455449D+00
      2  -0.453293D+01  0.677677D+01  0.356100D+01  0.145862D+01  0.976643D+01
      3   0.226945D+01 -0.107159D+02 -0.625796D+01 -0.511948D+01 -0.931098D+01
      4   0.369122D+01 -0.123627D+01 -0.149617D+01 -0.231004D+01 -0.310079D+01
      5  -0.418412D+01 -0.757079D+01 -0.627708D+01 -0.464044D+01 -0.134855D+02
      6   0.261038D+01 -0.728074D+01 -0.133832D+01 -0.599529D+00 -0.882919D+01
                46            47            48            49            50 
      1  -0.432493D+01 -0.102824D+01  0.167843D+00  0.477274D+01  0.166670D+02
      2   0.175487D+01  0.186539D+01 -0.339598D+01 -0.453112D+01 -0.248601D+02
      3   0.257006D+01 -0.837147D+00  0.322813D+01 -0.241620D+00  0.819302D+01
      4   0.866737D+01  0.112618D+01 -0.182771D+01 -0.799604D+01 -0.120968D+02
      5   0.597512D+01 -0.187902D+01 -0.166412D+00  0.227617D+01  0.116449D+01
      6   0.153577D+01  0.279288D+01  0.717324D+01  0.280145D+01  0.794274D+01
                51            52            53            54            55 
      1  -0.379508D+01  0.101672D+02 -0.865138D+01  0.398916D+01 -0.470168D+00
      2   0.163968D+01 -0.762316D+01  0.862996D+01 -0.253179D+01  0.501934D+01
      3   0.215541D+01 -0.254403D+01  0.214202D-01 -0.145737D+01 -0.454917D+01
      4   0.379894D+01  0.427694D+00  0.754831D+01  0.202707D+01  0.597944D+01
      5   0.494060D+01  0.915132D+00  0.444705D+01  0.586972D+01 -0.853474D+00
      6  -0.119198D+02  0.107077D+01 -0.160450D+01  0.387809D+01 -0.372887D+01
                56            57            58            59            60 
      1   0.902178D+01 -0.246221D+01  0.976984D+01 -0.289503D+02  0.356786D+01
      2  -0.414584D+01  0.176397D+01 -0.369398D+01  0.481133D+02 -0.274331D+01
      3  -0.487595D+01  0.698239D+00 -0.607586D+01 -0.191631D+02 -0.824557D+00
      4   0.137022D+02 -0.261679D+01  0.146945D+02  0.319966D+02 -0.491781D+01
      5  -0.270857D+01  0.504219D+01 -0.641977D+01 -0.256947D+00  0.530891D+01
      6  -0.444642D+00 -0.190133D+01 -0.981566D+00 -0.158409D+02  0.168574D+02
                61            62            63            64            65 
      1  -0.428352D+01  0.997313D+01 -0.111169D+02  0.724022D+01  0.965775D+00
      2   0.279503D+01 -0.723377D+01  0.290672D+01 -0.375812D+01 -0.494148D+01
      3   0.148849D+01 -0.273937D+01  0.821016D+01 -0.348210D+01  0.397571D+01
      4  -0.315236D+01 -0.789754D+01  0.804091D+01 -0.110097D+02  0.107837D+02
      5   0.584455D+01  0.584444D+01 -0.575546D+01 -0.258908D+01  0.211115D+01
      6  -0.661475D+00  0.157030D+02 -0.115516D+02  0.831590D+01 -0.441691D+01
                66            67            68            69            70 
      1   0.171649D+01 -0.708210D+00 -0.118401D+02 -0.318291D+01  0.944978D+00
      2   0.123396D+01 -0.434011D+01  0.210308D+02  0.530419D+01  0.116948D+01
      3  -0.295045D+01  0.504832D+01 -0.919076D+01 -0.212128D+01 -0.211446D+01
      4   0.406705D+01  0.996675D+01 -0.142598D+02 -0.217738D+01  0.651838D+01
      5   0.895607D+01  0.142620D+01 -0.768902D+01 -0.145216D+01  0.767876D+01
      6  -0.484835D+01 -0.176063D+01  0.129200D+02  0.114238D+02 -0.540200D+01
                71            72            73            74            75 
      1  -0.611356D+01 -0.559544D+01  0.724154D+01  0.967250D+00 -0.171581D+01
      2   0.462872D+01 -0.320302D+01 -0.375998D+01 -0.494418D+01 -0.123419D+01
      3   0.148484D+01  0.879846D+01 -0.348156D+01  0.397693D+01  0.295000D+01
      4  -0.469808D+01 -0.572834D+01 -0.110101D+02  0.107833D+02 -0.406699D+01
      5  -0.395541D+01 -0.471978D+01  0.259044D+01 -0.211156D+01  0.895642D+01
      6   0.969173D+01  0.933205D+01 -0.831526D+01  0.441754D+01 -0.484802D+01
                76            77            78            79            80 
      1  -0.707241D+00 -0.118380D+02  0.318331D+01 -0.944106D+00  0.611418D+01
      2  -0.434126D+01  0.210273D+02 -0.530455D+01 -0.117007D+01 -0.462961D+01
      3   0.504850D+01 -0.918923D+01  0.212123D+01  0.211418D+01 -0.148458D+01
      4   0.996656D+01 -0.142611D+02  0.217807D+01 -0.651718D+01  0.469746D+01
      5  -0.142623D+01  0.769024D+01 -0.145272D+01  0.767894D+01 -0.395577D+01
      6   0.176126D+01 -0.129203D+02  0.114243D+02 -0.540052D+01  0.969139D+01
                81            82            83            84            85 
      1  -0.559491D+01  0.405118D+02 -0.578026D+01 -0.734828D+01 -0.342844D+00
      2  -0.320342D+01 -0.240552D+02  0.263252D+01  0.647739D+01  0.106177D+00
      3   0.879833D+01 -0.164566D+02  0.314774D+01  0.870892D+00  0.236667D+00
      4  -0.572779D+01 -0.840242D+01  0.962497D+01  0.248761D+01  0.108353D+02
      5   0.471961D+01 -0.149315D+02  0.283141D+01  0.142710D+02 -0.454291D+00
      6  -0.933112D+01  0.324894D+01 -0.312820D+01 -0.431859D+01 -0.273660D+01
                86            87            88            89            90 
      1   0.168636D+01 -0.275882D+01 -0.129058D+02  0.276251D+00  0.455997D+01
      2  -0.921182D+00  0.222950D+01  0.112805D+02 -0.432301D+00 -0.147520D+02
      3  -0.765173D+00  0.529316D+00  0.162533D+01  0.156050D+00  0.101920D+02
      4   0.379926D+01 -0.844248D+01  0.468702D+01 -0.106359D+02 -0.354639D+01
      5  -0.898826D+01 -0.537006D+00  0.177966D+02 -0.514682D+01 -0.190748D+02
      6   0.215297D+01  0.754262D+01 -0.306316D+01  0.723952D+01  0.546108D+01
                91            92            93            94            95 
      1   0.296690D+01  0.141504D+01 -0.442203D+00  0.572253D+00 -0.220855D+01
      2  -0.716202D+01 -0.193423D+01  0.711634D+01 -0.171636D+01 -0.194380D+01
      3   0.419512D+01  0.519198D+00 -0.667413D+01  0.114411D+01  0.415235D+01
      4   0.286962D+01  0.318354D+01 -0.183165D+01  0.426638D+01  0.335607D+01
      5  -0.961713D+01 -0.246623D+01  0.130624D+02 -0.365393D+01 -0.541396D+01
      6  -0.330663D+01 -0.252558D+01  0.277106D+01 -0.312426D+01 -0.530311D+01
                96            97            98            99           100 
      1   0.367874D+01 -0.948484D-01  0.245000D+01 -0.101288D+02  0.296667D+01
      2   0.398877D+01  0.688457D+01  0.281756D+01 -0.169893D+02 -0.716168D+01
      3  -0.766751D+01 -0.678972D+01 -0.526756D+01  0.271180D+02  0.419502D+01
      4  -0.399054D+01 -0.195578D+01 -0.361527D+01  0.337368D+01  0.286959D+01
      5   0.721820D+01  0.117511D+02  0.437470D+01 -0.206396D+02  0.961681D+01
      6   0.902291D+01  0.256278D+01  0.622130D+01 -0.864089D+01  0.330693D+01
               101           102           103           104           105 
      1   0.141503D+01  0.442380D+00  0.572211D+00 -0.220857D+01 -0.367857D+01
      2  -0.193423D+01 -0.711592D+01 -0.171617D+01 -0.194365D+01 -0.398849D+01
      3   0.519202D+00  0.667354D+01  0.114396D+01  0.415222D+01  0.766706D+01
      4   0.318362D+01  0.183178D+01  0.426642D+01  0.335617D+01  0.399062D+01
      5   0.246629D+01  0.130619D+02  0.365377D+01  0.541400D+01  0.721810D+01
      6   0.252562D+01  0.277108D+01  0.312426D+01  0.530325D+01  0.902294D+01
               106           107           108           109           110 
      1   0.951669D-01 -0.244999D+01 -0.101286D+02  0.336196D+01 -0.351626D+01
      2  -0.688424D+01 -0.281757D+01 -0.169884D+02 -0.342840D+00  0.465977D+00
      3   0.678907D+01  0.526756D+01  0.271170D+02 -0.301912D+01  0.305028D+01
      4   0.195594D+01  0.361554D+01  0.337380D+01 -0.455699D+01  0.395646D+01
      5   0.117505D+02  0.437482D+01  0.206395D+02  0.191701D+01  0.662640D+00
      6   0.256289D+01  0.622142D+01  0.864156D+01 -0.260607D+00 -0.133052D+00
               111           112           113           114           115 
      1   0.111360D+01 -0.104223D+02  0.265817D+01  0.236837D+01  0.608097D+01
      2  -0.120816D+01  0.428322D+01  0.370122D+01 -0.326641D+01 -0.315944D+01
      3   0.945577D-01  0.613905D+01 -0.635939D+01  0.898031D+00 -0.292153D+01
      4  -0.283648D+00  0.762791D+01 -0.189017D+02  0.735038D+00 -0.836854D+00
      5  -0.292662D-01  0.456311D+01  0.170928D+01 -0.662336D+01 -0.115779D+01
      6  -0.900185D-01 -0.239009D+01  0.448256D+01  0.184959D+01  0.539569D+00
               116           117           118           119           120 
      1  -0.103044D+01 -0.175133D+01  0.336153D+01 -0.351623D+01 -0.111395D+01
      2  -0.251168D+00  0.235158D+01 -0.342546D+00  0.465870D+00  0.120839D+01
      3   0.128161D+01 -0.600245D+00 -0.301898D+01  0.305036D+01 -0.944383D-01
      4   0.465106D+01 -0.271653D+01 -0.455682D+01  0.395638D+01  0.283814D+00
      5  -0.329970D+01  0.315438D+01 -0.191753D+01 -0.662470D+00 -0.293278D-01
      6   0.541256D+00  0.928805D-01  0.260753D+00  0.132877D+00 -0.901104D-01
               121           122           123           124           125 
      1  -0.104232D+02  0.265837D+01 -0.236841D+01 -0.608181D+01  0.103049D+01
      2   0.428379D+01  0.370071D+01  0.326640D+01  0.315997D+01  0.251092D+00
      3   0.613941D+01 -0.635908D+01 -0.897993D+00  0.292184D+01 -0.128158D+01
      4   0.762789D+01 -0.189013D+02 -0.735612D+00  0.837161D+00 -0.465156D+01
      5  -0.456294D+01 -0.170992D+01 -0.662338D+01 -0.115758D+01 -0.329990D+01
      6   0.238980D+01 -0.448191D+01  0.184920D+01  0.539431D+00  0.541175D+00
               126           127           128           129           130 
      1  -0.175119D+01 -0.193206D+01 -0.229404D+01 -0.274334D+01 -0.236355D+01
      2   0.235142D+01  0.284457D+01  0.422881D+01 -0.728625D+00  0.286269D+01
      3  -0.600229D+00 -0.912513D+00 -0.193477D+01  0.347196D+01 -0.499140D+00
      4  -0.271673D+01  0.599222D+01 -0.246649D+01 -0.229608D+01  0.359677D+01
      5  -0.315469D+01  0.157702D+01  0.118365D+01 -0.290790D+01  0.159095D+01
      6  -0.929353D-01 -0.449261D+01  0.379110D+01  0.293801D+01 -0.961812D+00
               131           132           133           134           135 
      1  -0.583573D+01 -0.394510D-01  0.109985D+01  0.183927D+01 -0.923199D-01
      2   0.105318D+02 -0.206238D+01 -0.117060D+01 -0.380507D+01  0.186010D+01
      3  -0.469603D+01  0.210183D+01  0.707568D-01  0.196580D+01 -0.176778D+01
      4  -0.467994D+00 -0.525449D+00 -0.477543D+01  0.343247D+01  0.165067D+01
      5   0.737714D+00 -0.128362D+01 -0.408605D+00 -0.507747D+00  0.209560D+01
      6   0.121819D+01  0.338983D+01  0.340763D+01  0.114627D+01 -0.225612D+01
               136           137           138           139           140 
      1  -0.193298D+01 -0.229566D+01  0.274259D+01 -0.236485D+01 -0.583752D+01
      2   0.284604D+01  0.423133D+01  0.728687D+00  0.286449D+01  0.105350D+02
      3  -0.913058D+00 -0.193567D+01 -0.347128D+01 -0.499639D+00 -0.469751D+01
      4   0.599169D+01 -0.246429D+01  0.229543D+01  0.359757D+01 -0.467702D+00
      5  -0.157742D+01 -0.118403D+01 -0.290732D+01 -0.159138D+01 -0.737909D+00
      6   0.449120D+01 -0.379090D+01  0.293777D+01  0.961550D+00 -0.121928D+01
               141           142           143           144 
      1   0.395856D-01 -0.110022D+01 -0.183937D+01 -0.928357D-01
      2   0.206246D+01  0.117072D+01  0.380543D+01  0.185969D+01
      3  -0.210205D+01 -0.704979D-01 -0.196606D+01 -0.176686D+01
      4   0.525597D+00  0.477369D+01 -0.343143D+01  0.164995D+01
      5  -0.128382D+01 -0.408267D+00 -0.507840D+00 -0.209480D+01
      6   0.338977D+01  0.340644D+01  0.114663D+01  0.225466D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.935565D+00      0.237797D+01      0.793205D+01
   x         -0.219189D-04     -0.557122D-04     -0.185836D-03
   y         -0.101866D-03     -0.258916D-03     -0.863652D-03
   z          0.935565D+00      0.237797D+01      0.793205D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.657275D+02      0.973980D+01      0.108370D+02
   aniso      0.167597D+02      0.248353D+01      0.276330D+01
   xx         0.682333D+02      0.101111D+02      0.112502D+02
   yx        -0.589845D+01     -0.874060D+00     -0.972522D+00
   yy         0.718317D+02      0.106444D+02      0.118435D+02
   zx        -0.296794D-03     -0.439804D-04     -0.489348D-04
   zy         0.199159D-03      0.295122D-04      0.328368D-04
   zz         0.571173D+02      0.846392D+01      0.941738D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.702453D+02      0.104093D+02      0.115819D+02
   aniso      0.166077D+02      0.246101D+01      0.273825D+01
   xx         0.722847D+02      0.107115D+02      0.119181D+02
   yx        -0.576883D+01     -0.854852D+00     -0.951151D+00
   yy         0.766781D+02      0.113625D+02      0.126425D+02
   zx        -0.230082D-03     -0.340947D-04     -0.379355D-04
   zy         0.245657D-03      0.364026D-04      0.405034D-04
   zz         0.617730D+02      0.915382D+01      0.101850D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.76735853         -0.96502805         -0.57007385
     8         -2.31696074         -3.11815562         -1.19555530
     8         -4.48337387          0.44921833         -1.71637645
     6         -1.42254131          0.31564008          1.65808247
     6          1.42263979         -0.31523177          1.65805615
     6          2.76726756          0.96486607         -0.57045900
     8          2.31696707          3.11792165         -1.19628239
     8         -1.89866432          2.93902700          1.70264174
     8          1.89885183         -2.93862214          1.70328911
     8          4.48316494         -0.44963936         -1.71660582
     1         -2.23579019         -0.50729097          3.37023765
     1          2.23594810          0.50809288          3.36999020
     1          4.43580667         -2.10957318         -0.90336175
     1         -4.43594537          2.10930842         -0.90345073
     1         -0.57361606          3.73426375          0.68145216
     1          0.57369527         -3.73431743          0.68262209

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.935565D+00      0.237797D+01      0.793205D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.935565D+00      0.237797D+01      0.793205D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.657275D+02      0.973980D+01      0.108370D+02
   aniso      0.167597D+02      0.248353D+01      0.276330D+01
   xx         0.682333D+02      0.101111D+02      0.112502D+02
   yx        -0.589845D+01     -0.874060D+00     -0.972522D+00
   yy         0.718317D+02      0.106444D+02      0.118435D+02
   zx         0.850065D-04      0.125967D-04      0.140157D-04
   zy        -0.126477D-02     -0.187420D-03     -0.208533D-03
   zz         0.571173D+02      0.846392D+01      0.941738D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.702453D+02      0.104093D+02      0.115819D+02
   aniso      0.166077D+02      0.246101D+01      0.273825D+01
   xx         0.722847D+02      0.107115D+02      0.119181D+02
   yx        -0.576883D+01     -0.854852D+00     -0.951151D+00
   yy         0.766781D+02      0.113625D+02      0.126425D+02
   zx         0.151762D-03      0.224889D-04      0.250222D-04
   zy        -0.124207D-02     -0.184056D-03     -0.204790D-03
   zz         0.617730D+02      0.915382D+01      0.101850D+02

 ----------------------------------------------------------------------
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 ... THIS SEEMS PLAINLY ABSURD; BUT WHOEVER WISHES TO BECOME A 
 PHILOSOPHER MUST LEARN NOT TO BE FRIGHTENED BY ABSURDITIES.

                          -- BERTRAND RUSSELL
 Job cpu time:       0 days  3 hours 44 minutes 39.5 seconds.
 Elapsed time:       0 days  0 hours 14 minutes  4.9 seconds.
 File lengths (MBytes):  RWF=    235 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 15:37:14 2021.
